Data query based on interstellar molecule spectrum database

Abstract

The present description provides a data query method and apparatus based on an interstellar molecule spectrum database, an electronic device, and a storage medium. The method comprises: in response to retrieval information inputted by a user and associated with an interstellar compound molecule, determining a compound molecule to be queried; determining, from a pre‑created interstellar molecule spectrum database, basic query information corresponding to the compound molecule; performing reasoning on the basic query information and determining molecular spectrum theoretical data corresponding to a data type to be calculated which has been determined by the user; and returning the basic query information, the molecular spectrum theoretical data, and the reasoning process to the user.

Description

Data query based on interstellar molecular spectrum database TECHNICAL FIELD

[0001] The present specification relates to the technical field of computer, and particularly relates to a data query method and device based on an interstellar molecular spectrum database, an electronic device and a storage medium. BACKGROUND

[0002] In astronomical research, interstellar molecular spectra are key tools for exploring the chemical evolution and physical processes of the universe. Due to the difficulty of directly sampling molecules in interstellar medium for research, spectral technology has become an important means for identifying molecular species. Through the determination and analysis of molecular spectra, the chemical composition, content and structure of the molecular compound corresponding to the molecular spectrum can be determined. Therefore, optimizing the management and analysis of interstellar molecular spectrum data is of great significance to promoting astronomical research.

[0003] However, the existing data sources capable of querying the related data of interstellar compound molecules store the chemical formula of the interstellar compound molecules and the experimental spectrum data in one data set, causing confusion and disorder of the data structure, and affecting the data retrieval efficiency of researchers. On the other hand, the formats of the related spectrum data provided by each data source are not uniform, and a single data source only provides part of the observation data directly related to a specific interstellar compound molecule, lacking analysis data that can only be obtained by theoretical calculation, further reducing the data retrieval and research efficiency of researchers.

[0004] Therefore, how to efficiently obtain the related data of the interstellar compound molecule to be queried has become a problem to be solved. SUMMARY

[0005] Embodiments of the present specification provide a data query method and device based on an interstellar molecular spectrum database, an electronic device and a storage medium to partially solve the problems existing in the prior art.

[0006] Embodiments of the present specification adopt the following technical solutions.

[0007] The present specification provides a data query method based on an interstellar molecular spectrum database, the method comprising: in response to search information associated with an interstellar compound molecule input by a user, determining a compound molecule to be queried; determining the basic query information corresponding to the compound molecule from a pre-created interstellar molecular spectrum database; reasoning the basic query information to determine the molecular spectrum theoretical data corresponding to the data type to be calculated determined by the user; and returning the basic query information, the molecular spectrum theoretical data and the reasoning process to the user.

[0008] Optionally, the basic query information corresponding to the compound molecule is determined from a pre-created interstellar molecular spectrum database, and specifically includes: determining a database query request according to the compound molecule; and determining, from the pre-created interstellar molecular spectrum database, molecular feature information and molecular spectrum basic information corresponding to the compound molecule as the basic query information according to the database query request.

[0009] Optionally, the basic query information is reasoned to determine molecular spectrum theoretical data corresponding to the data type to be calculated determined by the user, and specifically includes: determining original reasoning data required for reasoning from the basic query information in response to the data type to be calculated determined by the user; and determining, by reasoning through a mathematical library connected to the interstellar molecular spectrum database according to the original reasoning data, the molecular spectrum theoretical data corresponding to the data type to be calculated.

[0010] Optionally, an interstellar molecular spectrum database is pre-created, and specifically includes: obtaining spectrum data corresponding to each interstellar compound molecule in a plurality of data sources; performing standardization processing on the spectrum data to obtain to-be-stored data required to be stored in the interstellar molecular spectrum database; and storing the to-be-stored data by a preset tree structure according to feature attributes of each interstellar compound molecule in each dimension included in the to-be-stored data, to obtain the interstellar molecular spectrum database.

[0011] Optionally, the spectrum data is standardized to obtain to-be-stored data required to be stored in the interstellar molecular spectrum database, and specifically includes: determining, for each interstellar compound molecule, a plurality of spectrum data corresponding to the interstellar compound molecule in the data sources as to-be-judged data in the to-be-stored data; determining correct data in the to-be-judged data as first data corresponding to the interstellar compound molecule required to be stored in the interstellar molecular spectrum database according to a preset judgment strategy; and performing data cleaning on the first data according to a preset data format to obtain the to-be-stored data required to be stored in the interstellar molecular spectrum database.

[0012] Optionally, the to-be-stored data is stored by a preset tree structure to obtain the interstellar molecular spectrum database, and specifically includes: storing molecular feature information in the to-be-stored data by the preset tree structure to obtain an initial database; determining, for each interstellar compound molecule in the to-be-stored data, explanation information corresponding to molecular spectrum observation data of the interstellar compound molecule according to the molecular spectrum observation data; and adding the molecular spectrum observation data and the explanation information as molecular spectrum basic information to the initial database to obtain the interstellar molecular spectrum database.

[0013] Optionally, the feature attributes corresponding to each layer of data in the preset tree structure include at least one of the following: the number of atoms, the molecular weight, and the molecular structure of the interstellar compound molecule.

[0014] The present specification provides a data query device based on an interstellar molecule spectrum database, the device comprising: a determination module configured to determine a compound molecule to be queried in response to search information associated with the interstellar compound molecule input by a user; a query module configured to determine basic query information corresponding to the compound molecule from a pre-created interstellar molecule spectrum database; an analysis module configured to analyze the basic query information to determine molecular spectrum theoretical data corresponding to a data type to be calculated determined by the user; and a return module configured to return the basic query information, the molecular spectrum theoretical data, and the reasoning process to the user.

[0015] Optionally, the query module is configured to determine a database query request according to the compound molecule, and determine molecular feature information and molecular spectrum basic information corresponding to the compound molecule from the pre-created interstellar molecule spectrum database as the basic query information according to the database query request.

[0016] Optionally, the analysis module is configured to determine original reasoning data required for reasoning from the basic query information in response to the data type to be calculated determined by the user, and determine molecular spectrum theoretical data corresponding to the data type to be calculated by reasoning through a mathematical library connected to the interstellar molecule spectrum database according to the original reasoning data.

[0017] Optionally, the device further comprises a pre-creation module configured to: obtain spectrum data corresponding to each interstellar compound molecule in a plurality of data sources; perform standardization processing on the spectrum data to obtain to-be-stored data required to be stored in the interstellar molecule spectrum database; and store the to-be-stored data by a preset tree structure according to feature attributes of each interstellar compound molecule in each dimension included in the to-be-stored data, to obtain the interstellar molecule spectrum database.

[0018] Optionally, the pre-creation module is further configured to: for each interstellar compound molecule, determine a plurality of spectrum data corresponding to the interstellar compound molecule in the to-be-stored data as to-be-judged data; determine correct data in the to-be-judged data as first data corresponding to the interstellar compound molecule required to be stored in the interstellar molecule spectrum database according to a preset judgment strategy; and perform data cleaning on the first data according to a preset data format to obtain the to-be-stored data required to be stored in the interstellar molecule spectrum database.

[0019] Optionally, the pre-creation module is further configured to: store molecular feature information in the to-be-stored data according to a preset tree structure to obtain an initial database; for each interstellar compound molecule in the to-be-stored data, determine, according to molecular spectrum observation data corresponding to the interstellar compound molecule, interpretation information corresponding to the molecular spectrum observation data; and add the molecular spectrum observation data and the interpretation information as molecular spectrum basic information into the initial database to obtain the interstellar molecular spectrum database.

[0020] Optionally, the feature attributes corresponding to each layer of data in the preset tree structure include at least one of the following: the number of atoms of the interstellar compound molecule, the molecular weight, and the molecular structure.

[0021] The present specification provides a computer-readable storage medium, the storage medium stores a computer program, and the computer program is executed by a processor to implement the above-mentioned data query method based on the interstellar molecular spectrum database.

[0022] The present specification provides an electronic device, which includes a memory, a processor, and a computer program stored in the memory and executable on the processor, and the processor implements the above-mentioned data query method based on the interstellar molecular spectrum database when executing the program.

[0023] The above-mentioned at least one technical solution adopted by the embodiments of the present specification can achieve the following beneficial effects.

[0024] The present specification discloses a method, device, electronic device and storage medium for data query based on an interstellar molecular spectrum database, which comprises: determining a to-be-queried compound molecule in response to search information associated with an interstellar compound molecule input by a user; determining basic query information corresponding to the compound molecule from a pre-created interstellar molecular spectrum database; inferring the basic query information to determine molecular spectrum theoretical data corresponding to a to-be-calculated data type determined by the user; and returning the basic query information, the molecular spectrum theoretical data and the inference process to the user. Through this method, the basic spectrum data information of the compound molecule can be directly obtained from the pre-created interstellar molecular spectrum database in a systematic and efficient manner based on the search information input by the user, greatly improving the efficiency of the user in searching for related data of the interstellar compound molecule. In addition, based on the basic query information, real-time analysis and inference can be further performed based on the basic query information, the molecular spectrum theoretical data corresponding to the to-be-calculated data type determined by the user is determined through theoretical calculation, and the basic query information, the molecular spectrum theoretical data and the inference process are returned to the user, helping the user to more comprehensively obtain information related to the compound molecule and improving the data analysis efficiency. BRIEF DESCRIPTION OF DRAWINGS

[0025] The accompanying drawings, which are included to provide a further understanding of the present description and are incorporated in and constitute a part of the present description, illustrate embodiments of the present description and together with the general description of the present description given above and the detailed description of the present description given below, serve to explain the present description.

[0026] FIG. 1 is a flowchart of a data query method based on an interstellar molecular spectrum database according to an embodiment of the present description.

[0027] FIG. 2 is a structural diagram of a data query device based on an interstellar molecular spectrum database according to an embodiment of the present description.

[0028] FIG. 3 is a structural diagram of an electronic device according to an embodiment of the present description. DETAILED DESCRIPTION

[0029] In order to make the objects, technical solutions and advantages of the present description clearer, the technical solutions of the present description will be described below in detail with the specific embodiments of the present description and the corresponding drawings. The described embodiments are only some of the embodiments of the present description, not all the embodiments. Based on the embodiments in the present description, all other embodiments obtained by those skilled in the art without creative work fall within the scope of protection of the present description.

[0030] The technical solutions provided by the embodiments of the present description will be described in detail below with reference to the drawings.

[0031] There are a large number of compound molecules in interstellar space medium, and the evolution of these molecules in interstellar medium is crucial to the research in the field of astronomical space. These interstellar compound molecules have many characteristics, such as the number of atoms, molecular weight, molecular structure, and electronic structure properties of molecules, etc., and these characteristics of compound molecules are closely related to the molecular spectrum of interstellar compound molecules and related spectral data.

[0032] Further, as a unique characteristic identifier of molecules, molecular spectrum reveals the microscopic world of molecules and their detailed characteristics. Its spectral range is extensive, spanning from extreme ultraviolet to far infrared and even microwave spectrum. From the microscopic mechanism, molecular spectrum covers multi-dimensional information such as electronic energy level transition spectrum, vibration mode spectrum, and molecular rotation spectrum. On the spectrum diagram, the frequency and intensity of the spectral line become the key parameters to describe the inherent characteristics of the molecule.

[0033] In the field of astronomy and space science, the traditional chemical reagent-based reaction detection method is particularly limited for identifying complex compounds in interstellar medium and tracking chemical reactions. It is difficult to directly apply to the detection of remote interstellar environment, and it is also difficult to collect interstellar molecular samples to the earth for detailed research. Spectroscopy technology is an important means to detect the existence of astronomical space molecules. Using spectroscopy detection and spectral comparison technology, astronomers can easily know the types of molecules present in the related interstellar medium and determine the chemical composition, content and structure of the molecular compound corresponding to the molecular spectrum.

[0034] FIG. 1 is a flowchart of a data query method based on an interstellar molecular spectrum database according to an embodiment of the present specification. The method can include the following steps S100-S106.

[0035] S100: In response to the search information associated with the interstellar compound molecule input by the user, the compound molecule to be queried is determined.

[0036] In the embodiments of the present application, the user can use a high-sensitivity telescope and spectrometer to observe a specific area in interstellar space, record the intensity of light radiation at various wavelengths, and obtain some observed spectrum graphs corresponding to compound molecules. The spectral characteristics corresponding to these observed spectrum graphs can correspond to interstellar compound molecules that have not been discovered or confirmed by the laboratory. In order to verify the user's guessed compound molecules corresponding to the observed spectrum graphs, the observed spectral characteristics can be compared with the spectral data of known compound molecules to try to find each interstellar compound molecule corresponding to the observed spectrum graphs. Then, the user needs to obtain the relevant spectral data of the guessed known compound molecules. Of course, the user can also query the relevant characteristic information and spectral data information of a certain interstellar compound molecule for academic research.

[0037] Therefore, the user can obtain the relevant information of the interstellar compound molecule to be queried by using various data query applications or services. Specifically, the user can input the search information related to the interstellar compound molecule to be queried in the data search window provided by the application or webpage, such as the compound molecule number, chemical formula, number of atoms, molecular weight, molecular structure, etc. Information instructions are used to query the spectral data information related to the interstellar compound molecule.

[0038] Correspondingly, the terminal device such as a notebook computer, a tablet computer and the like will determine the compound molecule to be queried in response to the search information associated with the interstellar compound molecule input by the user, for subsequent querying of the spectral data information related to the compound molecule from the pre-determined database. Of course, the compound molecule to be queried can also be determined by a server connected with the data query application or service. For the convenience of description, the data query method based on the interstellar molecule spectral database provided in the present specification is described by taking the server as an execution subject.

[0039] S102: Determine the basic query information corresponding to the compound molecule from the pre-created interstellar molecule spectral database.

[0040] Specifically, after determining the compound molecule to be queried, the database query request is determined according to the compound molecule, and all data related to the compound molecule in the pre-created interstellar molecule spectral database is queried according to the database query request, and returned to the user as the basic query data.

[0041] Among them, the basic query data mentioned here is the detailed experimental observation data related to the compound molecule stored in the pre-created interstellar molecule spectral database, such as chemical formula, number of atoms, molecular mass, three-dimensional form of the molecule, spectral frequency and the like. Through these basic query information, the user can quickly understand the basic information of the compound molecule to be queried. At the same time, in order to help the user better understand the data, the related explanation information corresponding to each data in the basic query information can also be provided in response to the user's explanation instruction.

[0042] Further, the data stored in the data in the pre-created interstellar molecule spectral database contains the spectral data of the existing discovered interstellar compound molecules, as the basic query data returned to the user subsequently. These basic query data are derived from multiple data sources, including various official astronomical professional field CDMS (Cologne Database for Molecular Spectroscopy, Cologne Molecular Spectroscopy Database), JPL (Jet Propulsion Laboratory, Jet Propulsion Laboratory) and the like astronomical chemistry spectral data set or literature and the like, therefore, compared with the data in a single data source, the data in the interstellar molecule spectral database is more comprehensive and systematic.

[0043] Meanwhile, since the spectrum data related to interstellar compound molecules stored in each data source is experimental observation data, the data in the basic query data corresponding to the compound molecule to be queried is also almost experimental observation data. However, for each experimental observation data type, some interstellar compound molecules lack data corresponding to the experimental observation data type, and when the interstellar molecular spectrum database is created, the missing data can be determined based on theoretical calculation and the calculation process is labeled as part of the basic query data.

[0044] S104: reasoning on the basic query information to determine the molecular spectrum theoretical data corresponding to the data type to be calculated determined by the user.

[0045] Further, since the basic query information lacks theoretical data after analysis and reasoning, after querying the basic query information, real-time analysis and reasoning on the basic query information can be performed in response to the data type to be calculated determined by the user, and the data corresponding to the data type to be calculated is determined based on part of the data in the basic query information as the molecular spectrum theoretical data obtained by analysis. At the same time, the detailed process of performing these calculations and reasonings is recorded and sorted, including the formulas, algorithms, calculation steps used, etc.

[0046] Specifically, the analysis instruction input by the user can be received to determine the data type to be calculated required by the user, for example, when it is determined that the data type to be calculated is the spectral constant inherent in the molecular spectrum of the compound molecule to be queried, including the rotational constant, centrifugal distortion constant, etc., and the related spectral formula is displayed, then the spectral item, spectral frequency in the basic query data can be analyzed and reasoned scientifically to determine the spectral constant information such as the rotational constant and the centrifugal distortion constant through the related spectral formula as the molecular spectrum theoretical data. Of course, the spectral intensity and spectral frequency spectrum line graph can also be determined based on the basic query information through theoretical calculation, and the specific data type to be calculated is not limited by the embodiments of the present application.

[0047] It should be noted that the molecular spectrum theoretical data here is not the data pre-stored in the interstellar molecular spectrum database, but the theoretical data analyzed and calculated in real time based on the data type to be calculated determined from the analysis instruction of the user. Of course, the user can also query only the basic query information to understand the related theoretical observation data corresponding to the compound molecule to be queried.

[0048] S106: returning the basic query information, the molecular spectrum theoretical data, and the reasoning process to the user.

[0049] Further, the server can return the information to the user in a user-friendly manner after determining all the user-requested information, including the basic query information retrieved directly from the interstellar molecular spectrum database, the molecular spectrum theoretical data calculated based on the user's specific needs, and the detailed process of performing these calculations and inferences. Among them, the user-friendly manner refers to the manner that is easy for the user to understand and read the information, such as using concise and attractive text, using effective formats such as headings, bullets, and bold fonts to improve the readability of the text, etc.

[0050] Specifically, in order to facilitate the user to understand and use these data, the system will format the returned information. For basic query information, it can be grouped according to data categories and displayed in the form of tables, charts or text descriptions. For molecular spectrum theoretical data, in addition to providing numerical results, corresponding charts or images such as spectrum graphs, frequency distribution graphs, etc. can also be generated to help users understand the data more intuitively. The inference process can also be presented in the form of easy-to-understand step-by-step instructions or flowcharts.

[0051] Further, in order to improve the user's data interpretation ability, necessary explanations and annotations can also be provided in the returned data. For each data item in the basic query information, a brief description or definition is attached to help the user understand its meaning and importance. For molecular spectrum theoretical data, the physical meaning of the calculation results, the application range, and the possible errors or uncertainties are explained, and the key steps and assumptions in the inference process are also clearly explained.

[0052] Finally, the server will display the data to the user through user interfaces such as web pages, application program interfaces, etc. and allow the user to perform interactive operations such as zooming charts, viewing detailed data, downloading data, etc. Of course, part of the data can also be rendered through the front-end visualization component before being returned to the user. The specific data content returned to the user and the specific display method of the data are not limited by the embodiments of the present specification.

[0053] Based on the data query method based on the interstellar molecular spectrum database provided in FIG. 1, based on the retrieval information input by the user, the basic spectral data information of the compound molecule to be queried can be directly obtained from the pre-created interstellar molecular spectrum database in a systematic and efficient manner, greatly improving the efficiency of the user in retrieving related data of interstellar compound molecules. In addition, based on the basic query information retrieved, real-time analysis and inference can also be further performed, the molecular spectrum theoretical data corresponding to the data type to be calculated determined by the user can be determined through theoretical calculation, and the basic query information, the molecular spectrum theoretical data and the inference process are returned to the user, helping the user to more comprehensively obtain information related to the compound molecule and improving the data analysis efficiency.

[0054] Further, from the pre-created interstellar molecular spectrum database, the basic query information corresponding to the compound molecule is determined, which can be specifically determined according to the compound molecule, the database query request is determined, and the molecular characteristic information and the molecular spectrum basic information corresponding to the compound molecule are determined from the pre-created interstellar molecular spectrum database as the basic query information according to the database query request.

[0055] Specifically, when obtaining the basic query information from the interstellar molecular spectrum database, one or more database query requests can be constructed based on the compound molecule to be queried, which specifies the data table, field, and filtering conditions to be queried, so as to accurately retrieve the information related to the compound molecule to be queried from the interstellar molecular spectrum database. Then the constructed database query request is sent to the pre-created interstellar molecular spectrum database, so that the database management system compares the name, molecular formula, chemical structure and other key information of the compound molecule to be queried with the records in the database, and searches for data records matching the compound molecule to be queried. In some cases, due to the complexity and diversity of spectral data, fuzzy matching or similarity algorithm can be used to expand the search range to ensure that the basic query information related to the compound molecule to be queried is not missed.

[0056] Further, the basic query information returned to the user can be further divided into two categories: molecular characteristic information and molecular spectrum basic information, and both are experimental observation data. Among them, the molecular characteristic information describes the basic physical and chemical properties of the interstellar compound molecule, such as chemical formula, molecular weight, atomic composition, molecular structure (such as bond length, bond angle, conformation, etc.), spatial configuration, etc., which is crucial for understanding the essential properties and behaviors of the interstellar compound molecule.

[0057] And the molecular spectrum basic information focuses on the spectral characteristics of the interstellar compound molecule and related interpretation information, including but not limited to spectral frequency (unit: MHz), uncertainty deviation of spectral frequency (unit: MHz), logarithmic value of integral intensity (unit: nm2MHz) with base 10, degree of freedom of rotational partition function, relative energy of low state to the lowest energy level of vibrational ground state (unit: cm-1), degeneracy of high state (spin statistical weight * rotational degeneracy), molecular tag, quantum number coding format, high state rotational quantum number (J, Ka, Kc), low state rotational quantum number (J, Ka, Kc), etc. These information is the basis for spectral analysis, and is of great significance for determining the existence, structure, electronic state and interaction with other compound molecules of the interstellar compound molecule.

[0058] Further, the basic query information is inferred to determine the molecular spectrum theoretical data corresponding to the determined to-be-calculated data type. Specifically, in response to the to-be-calculated data type determined by the user, original inference data required for inference is determined from the basic query information, and the original inference data is used to perform inference through a mathematical library connected to the interstellar molecular spectrum database to determine the molecular spectrum theoretical data corresponding to the to-be-calculated data type.

[0059] Specifically, in response to the to-be-calculated data type determined by the user, original inference data stored in the interstellar molecular spectrum database can be determined to be used to infer and calculate the molecular spectrum theoretical data corresponding to the to-be-calculated data type. For example, if the to-be-calculated data type determined by the user is a rotational constant, the spectral term and spectral frequency of the compound molecule corresponding to the to-be-queried basic query data can be determined as the original inference data.

[0060] Further, after the necessary original inference data is determined, the server performs inference calculation through a mathematical library connected to the interstellar molecular spectrum database to determine the molecular spectrum theoretical data. The mathematical library mentioned here can be an Intel Math Kernel Library (MKL) mathematical library, which contains a series of optimized mathematical functions and linear algebra operations, such as matrix operations, fast Fourier transform, quantum chemical calculation method, spectral simulation algorithm, statistical mechanics model, etc. The initial inference data obtained from the interstellar molecular spectrum database can be used to perform theoretical calculation to determine the molecular spectrum theoretical data corresponding to the to-be-calculated data type. Of course, the mathematical library can also be other high-performance mathematical libraries that can perform real-time inference analysis based on part of the data in the database, and the specific mathematical library is not limited in the embodiments of the present specification.

[0061] Further, the present specification provides an embodiment of inferring the to-be-calculated data type “rotational type of compound molecule” of the user based on the original inference data “molecular structure” in the basic query information. First, the representation of the compound molecule in the principal axis coordinate system is determined, and the center of mass in any rectangular coordinate system can be calculated as follows:

[0062] where m represents the mass of each atom in the compound molecule, x, y, and z represent the coordinate values of each atom in any rectangular coordinate system, and X, Y, and Z represent the center of mass coordinates. i where m represents the mass of each atom in the compound molecule, x, y, and z represent the coordinate values of each atom in any rectangular coordinate system, and X, Y, and Z represent the center of mass coordinates. i i i where m represents the mass of each atom in the compound molecule, x, y, and z represent the coordinate values of each atom in any rectangular coordinate system, and X, Y, and Z represent the center of mass coordinates.

[0063] ​​The representation of a compound molecule in any rectangular coordinate system can be written as in the center-of-mass coordinate system: x i = x' i - X c , y i = y' i - Y c , z i = z' i - Z c ;

[0064] where x i , y i , z i are the coordinate values of the i-th atom in the compound molecule in the center-of-mass coordinate system. In this center-of-mass coordinate system, the moment of inertia of the compound molecule is calculated as: I xy = -∑ i m i x i y i , I xz = -∑ i m i x i z i , I yz = -∑ i m i y i z i .

[0065] The inertia matrix is obtained:

[0066] Diagonalization of the inertia matrix can obtain the inertia principal axis values I a , I b , I c . By comparing the relationship of the inertia principal axis values, the molecular rotation mode is obtained. The molecular rotation mode is specifically divided into the following categories:

[0067] Linear molecules, whose inertia principal axis values are characterized by: I c = I b > I a = 0;

[0068] Symmetric long gyroscope molecules, characterized by: I c = I b > I a ;

[0069] Symmetric flat gyroscope molecules, characterized by: I c > I b = I a ;

[0070] Ball gyroscope molecules, characterized by: I c= I b = I a ;

[0071] Asymmetric top molecule, characterized by: I c ≠ I b ≠ I a .

[0072] According to the calculated value of the principal axis of inertia, the rotational constant of the molecule is calculated, that is, the spectral molecular theoretical data is:

[0073] Then, the structure of the molecule can be determined by the rotational constant, and the structure of the molecule is confirmed.

[0074] Further, an interstellar molecular spectrum database is created in advance, which can specifically be that spectral data corresponding to each interstellar compound molecule in a plurality of data sources is obtained; the spectral data is standardized to obtain the to-be-stored data required to be stored in the interstellar molecular spectrum database; according to the characteristic attributes of each interstellar compound molecule in the to-be-stored data in each dimension, the to-be-stored data is stored through a preset tree structure to obtain the interstellar molecular spectrum database.

[0075] Specifically, the interstellar molecular spectrum database is created in advance, and a plurality of data sources containing spectral data corresponding to each interstellar compound molecule can be determined first. The data sources mentioned here can be CDMS, JPL, or other astronomical chemical spectrum data sets or published literature journals. Of course, it can also be an actively uploaded file, and the specific data source is not limited in the embodiments of the present specification.

[0076] Then, the spectral data corresponding to each interstellar compound molecule in a plurality of data sources can be obtained through an automatic network crawler technology. The spectral data mentioned here includes the chemical formula of the interstellar compound molecule, the number of atoms, the molecular mass, the three-dimensional form of the molecule, and the spectral characteristics, etc., which is the basis for constructing the interstellar molecular spectrum database and corresponds to the basic query data that the user can obtain in the query stage.

[0077] Further, after obtaining the spectral data, since the various specified interstellar compound molecules included in the database come from different data sets and literature, not all of them are suitable for directly constructing the target database. Some data may not have good label information, such as chemical formula, number of atoms, molecular weight, molecular structure, and spectral data, etc. Some data may have obvious errors and can belong to "dirty data". Therefore, the spectral data can be standardized, such as cleaning, checking, deleting, correcting, etc., to obtain the to-be-stored data required to be stored in the interstellar molecular spectrum database.

[0078] Specifically, the data in different data sets are checked for duplication, the data of repeated molecules are overlapped, one copy of the same data is retained, the different data are studied in detail to remove the incorrect parts, the correct parts are corrected, and for the missing data, the relevant literature is consulted to fill in the missing parts. For the missing experimental observation data that cannot be consulted, the missing position is retained, and the data is obtained through subsequent theoretical calculation. It should be noted that the data obtained through theoretical calculation here will be stored in the interstellar molecular spectrum database as part of the basic query data, which is different from the molecular spectrum theoretical data obtained based on user selection, which needs to be analyzed and inferred in real time.

[0079] Further, the feature attributes of each interstellar compound molecule contained in the to-be-stored data in each dimension can be determined, and a tree data structure such as a classification tree, an index tree, etc. is designed in advance for storing the to-be-stored data according to the hierarchical structure and logical relationship of each feature attribute. Such a tree structure can support fast data retrieval and efficient query operations. Then, the standardized to-be-stored data is stored in the database according to the pre-determined tree structure, each node can represent a specific feature attribute or classification standard, and the leaf node stores specific spectral data records.

[0080] Specifically, the spectral data is standardized to obtain the to-be-stored data required to be stored in the interstellar molecular spectrum database. Specifically, for each interstellar compound molecule, a plurality of spectral data corresponding to the interstellar compound molecule in the to-be-stored data from the data sources are determined as to-be-judged data; according to a predetermined judgment strategy, the correct data in the to-be-judged data is determined as the first data required to be stored in the interstellar molecular spectrum database corresponding to the interstellar compound molecule; and the first data is cleaned according to a predetermined data format to obtain the to-be-stored data required to be stored in the interstellar molecular spectrum database.

[0081] In other words, according to the information in the spectral data, each interstellar compound molecule can be determined, and for each interstellar compound molecule, the corresponding spectral data can be collected from multiple data sources. These spectral data can come from different laboratories, telescope observations or published literature, so there can be multiple versions or duplicates. Then, the spectral data collected from different data sources are taken as a set of to-be-judged data for further verification and screening.

[0082] Further, according to a preset judgment strategy, the correct data in the to-be-judged data is determined as the first data. The authority index of each to-be-judged data can be determined according to the data source corresponding to the to-be-judged data. If the authority index is greater than a preset threshold, the to-be-judged data corresponding to the authority index is determined as the correct data. For each data type corresponding to an interstellar compound molecule, if there are multiple correct data of the data type corresponding to the interstellar compound molecule, these correct data are displayed to the user when the user searches for information, and the corresponding data source is marked. Meanwhile, the correct data can be updated in real time based on the selection operation of the user. For the correct data of each different data source displayed on the user interface, the user selection rate of the correct data is obtained. If the user selection rate is lower than a preset threshold, the correct data is updated as incorrect data and is no longer displayed to the user.

[0083] In addition, the credibility of each to-be-judged data can be determined according to the frequency of occurrence of the to-be-judged data, and whether the to-be-judged data is correct data is determined according to the credibility. Of course, since the number of interstellar compound molecules is not large in magnitude, all to-be-judged data can be displayed to the labeling personnel, and the correct data is determined based on the selection operation of the labeling personnel. The specific judgment strategy and the determination method of the correct data are not limited in the embodiments of the present application.

[0084] Further, the storage format of the spectral data is determined, including wavelength / frequency unit, intensity unit, data point interval, file type (such as text file, CSV, JSON or binary format) and the like. Then, the first data determined as the correct data is cleaned according to a preset data format, including removing redundant data points, adjusting data units to maintain consistency, filling missing values, and correcting obvious errors or abnormal values and the like. For example, the first data can be cleaned according to the CDMS data set format to unify the format. After data cleaning, the obtained data is the to-be-stored data required to be stored in the interstellar molecule spectral database. These data have been verified, cleaned and formatted, have high quality and consistency, and are suitable for subsequent database storage and query operations.

[0085] Further, each interstellar compound molecule can be numbered in the form of 'atom number + molecular weight + positive integer' to determine the uniform molecular number of each interstellar compound molecule in the created interstellar molecular spectrum database. For example, the 'H2' molecule has an atom number of 2 and a molecular weight of 2 (considering the molecular weight of the most common isotope), and is numbered as 1 according to the size of the diatomic molecular weight in Arabic numerals. The 'H2' molecule can be numbered as '02002001', in which 02 is the atom number (with a maximum value of 99), 002 is the molecular weight (with a maximum value of 999), and 001 is the molecular ordering number (with a maximum value of 999). The database uses a tree structure to store these data. For example, the 'H2' molecule can be divided into a tree chain with an atom number of 2 and a molecular weight of 2 according to its first five numbers 02002, and the molecular structure information of this molecule can be divided into a tree chain of linear molecules according to the structure of the linear molecule.

[0086] For the storage structure of the above data, queries can be performed. For example, the spectral data of the 'H2' molecule can be directly queried as 02002001, or the spectral data of the 'H2' molecule can be found by querying the atom number 2, or the molecular weight 2, or the linear molecule as a keyword.

[0087] Further, after standardizing the data, the data to be stored is stored through a preset tree structure to obtain an interstellar molecular spectrum database. Specifically, the molecular characteristic information in the data to be stored is stored through a preset tree structure to obtain an initial database. For each interstellar compound molecule in the data to be stored, the interpretation information corresponding to the molecular spectrum observation data of the interstellar compound molecule is determined according to the molecular spectrum observation data. The molecular spectrum observation data and the interpretation information are added to the initial database as molecular spectrum basic information to obtain an interstellar molecular spectrum database.

[0088] Specifically, after determining the data to be stored, a tree structure of the interstellar molecular spectrum database can be constructed based on different characteristic attributes of interstellar compound molecules. Each characteristic attribute can be a node of a tree, and a specific characteristic value can be a child node or attribute of the node. The characteristic attributes of each layer of data in the preset tree structure include at least one of the atom number, the molecular weight, and the molecular structure of the interstellar compound molecule. Of course, the characteristic attributes can also include the molecular number, the bond length, the bond angle, and the like. The specific characteristic attributes are not limited in the embodiments of the present application.

[0089] Then, the characteristic information of each interstellar compound molecule in the to-be-stored data is entered according to a preset tree structure, including placing all related molecular characteristic information (such as chemical formula, molecular weight, etc.) of each molecule under the corresponding node of the tree structure, to construct an initial database containing all molecular characteristic information, thereby providing a basic framework for subsequent addition of molecular spectral observation data.

[0090] Further, the spectral observation data corresponding to each interstellar compound molecule in the to-be-stored data is experimental observation data from multiple data sources, including but not limited to spectral frequency (unit: MHz), uncertainty deviation of spectral frequency (unit: MHz), logarithmic value of integral intensity (unit: nm2MHz) with base 10, degree of freedom of rotational partition function, relative energy of low state relative to the lowest energy level of the vibrational ground state (unit: cm-1), degeneracy of high state (spin statistical weight * rotational degeneracy), molecular tag, quantum number coding format, high state rotational quantum number (J, Ka, Kc), low state rotational quantum number (J, Ka, Kc), etc.

[0091] For the spectral observation data corresponding to each interstellar compound molecule, the corresponding explanation information of the interstellar compound molecule can be determined, and the spectral observation data of the interstellar compound molecule and the corresponding explanation information are associated through a relationship table or index in the database, so as to ensure that the user can conveniently find the explanation information corresponding to the specific spectral observation data when querying.

[0092] Further, the associated molecular spectral observation data and explanation information are added to the initial database as molecular spectral basic information. Through this process, the initial database is expanded into an interstellar molecular spectral database containing molecular spectral observation data and explanation information. This database not only contains the characteristic information of the molecules, but also contains detailed information about the spectral characteristics of the molecules, thereby providing rich data resources for scientific research and application, and providing basic raw inference data for further inference analysis.

[0093] The above is a data query method based on an interstellar molecular spectral database provided by an embodiment of the present specification. Based on the same idea, the present specification also provides a corresponding device, storage medium and electronic equipment.

[0094] FIG. 2 is a structural schematic diagram of a data query device based on an interstellar molecular spectral database provided by an embodiment of the present specification. The device includes a determination module 200, a query module 202, an analysis module 204 and a return module 206.

[0095] The determination module 200 is configured to determine the compound molecule to be queried in response to the search information associated with the interstellar compound molecule input by the user.

[0096] The query module 202 is configured to determine the basic query information corresponding to the compound molecule from the pre-created interstellar molecular spectrum database.

[0097] The analysis module 204 is configured to infer the basic query information to determine the molecular spectrum theoretical data corresponding to the data type to be calculated determined by the user.

[0098] The return module 206 is configured to return the basic query information, the molecular spectrum theoretical data and the inference process to the user.

[0099] Optionally, the query module 202 is specifically configured to determine a database query request according to the compound molecule, and determine the molecular feature information and the molecular spectrum basic information corresponding to the compound molecule from the pre-created interstellar molecular spectrum database as the basic query information according to the database query request.

[0100] Optionally, the analysis module 204 is specifically configured to determine the original inference data required for inference from the basic query information in response to the data type to be calculated determined by the user, and determine the molecular spectrum theoretical data corresponding to the data type to be calculated by performing inference on the original inference data through the mathematical library connected to the interstellar molecular spectrum database.

[0101] Optionally, the device further comprises a pre-creation module, which is configured to obtain the spectrum data corresponding to each interstellar compound molecule in a plurality of data sources, perform standardization processing on the spectrum data to obtain the to-be-stored data required to be stored in the interstellar molecular spectrum database, and store the to-be-stored data through a preset tree structure according to the characteristic attributes of each interstellar compound molecule in each dimension included in the to-be-stored data, to obtain the interstellar molecular spectrum database.

[0102] Optionally, the pre-creation module is further configured to determine, for each interstellar compound molecule, a plurality of spectrum data corresponding to the interstellar compound molecule in the to-be-stored data as to-be-judged data, determine correct data in the to-be-judged data as first data corresponding to the interstellar compound molecule required to be stored in the interstellar molecular spectrum database according to a preset judgment strategy, and perform data cleaning on the first data according to a preset data format to obtain the to-be-stored data required to be stored in the interstellar molecular spectrum database.

[0103] Optionally, the pre-creation module is further configured to store molecular feature information in the to-be-stored data by a preset tree structure to obtain an initial database; for each interstellar compound molecule in the to-be-stored data, determine, according to molecular spectral observation data corresponding to the interstellar compound molecule, interpretation information corresponding to the molecular spectral observation data; and add the molecular spectral observation data and the interpretation information as molecular spectral basic information to the initial database to obtain an interstellar molecular spectral database.

[0104] Optionally, the feature attributes corresponding to each layer of data in the preset tree structure include at least one of the following: the number of atoms of the interstellar compound molecule, the molecular weight, and the molecular structure.

[0105] The specification also provides a computer-readable storage medium, which stores a computer program. The computer program is executed by a processor to implement the data query method based on the interstellar molecular spectral database provided in FIG. 1.

[0106] Based on the data query method based on the interstellar molecular spectral database shown in FIG. 1, the specification further provides a structural diagram of an electronic device shown in FIG. 3. As shown in FIG. 3, at the hardware level, the electronic device includes a processor, an internal bus, a network interface, a memory, and a non-volatile memory, and can further include other hardware required by a business. The processor reads the corresponding computer program from the non-volatile memory into the memory and then runs the computer program to implement the data query method based on the interstellar molecular spectral database described above in FIG. 1.

[0107] The specification also provides a computer program. The computer executes the computer program to implement the data query method based on the interstellar molecular spectral database provided in FIG. 1.

[0108] Of course, in addition to the software implementation, the specification does not exclude other implementation manners, such as a logic device or a combination of software and hardware, and the like, that is, the execution subject of the following processing flow is not limited to each logic unit, but can also be hardware or a logic device.

[0109] In the 1990s, it was quite obvious to distinguish whether an improvement in a technology was in hardware (e.g., improvement in circuit structures of diodes, transistors, switches, etc.) or in software (improvement in method flow). However, as technology has evolved, many improvements in method flow today can be considered as direct improvements in hardware circuit structures. Designers almost always obtain the corresponding hardware circuit structures by programming the improved method flow into hardware circuits. Therefore, it cannot be said that an improvement in a method flow cannot be implemented by hardware entity modules. For example, a programmable logic device (PLD) (e.g., a field programmable gate array (FPGA)) is an integrated circuit whose logic function is determined by user programming of the device. A digital system is "integrated" on a PLD by the designer programming it, rather than by asking a chip manufacturer to design and fabricate a custom integrated circuit chip. Moreover, instead of manually fabricating integrated circuit chips, this programming is now mostly implemented by "logic compiler" software, which is similar to software compilers used in program development, and the original code to be compiled is written in a specific programming language, which is called a hardware description language (HDL), and there are many such languages, such as ABEL (Advanced Boolean Expression Language), AHDL (Altera Hardware Description Language), Confluence, CUPL (Cornell University Programming Language), HDCal, JHDL (Java Hardware Description Language), Lava, Lola, MyHDL, PALASM, RHDL (Ruby Hardware Description Language), etc., and the most commonly used are VHDL (Very-High-Speed Integrated Circuit Hardware Description Language) and Verilog. Those skilled in the art should be aware that, as long as the method flow is logically programmed in the above-mentioned hardware description languages and programmed into an integrated circuit, a hardware circuit implementing the logical method flow can be easily obtained.

[0110] The controller can be implemented in any suitable way, for example, the controller can take the form of a microprocessor or processor and a computer readable medium storing computer readable program code, such as software or firmware, executable by the (micro)processor, logic gates, switches, an application specific integrated circuit (ASIC), a programmable logic controller and an embedded microcontroller, examples of which include but are not limited to the following microcontrollers: ARC 625D, Atmel AT91SAM, Microchip PIC18F26K20 and Silicone Labs C8051F320, the memory controller can also be implemented as part of the control logic of the memory. Those skilled in the art will also know that, in addition to being implemented in pure computer readable program code, the controller can also be implemented to perform the same functions in the form of logic gates, switches, application specific integrated circuits, programmable logic controllers and embedded microcontrollers, etc. by logically programming the method steps. Therefore, such a controller can be considered as a hardware component, and the means included therein for implementing various functions can also be considered as structures within the hardware component. Alternatively, the means for implementing various functions can even be considered as both a software module implementing a method and a structure within a hardware component.

[0111] The systems, apparatuses, modules or units illustrated by the above embodiments can be specifically implemented by computer chips or entities, or by products with certain functions. A typical implementation device is a computer. Specifically, the computer can be, for example, a personal computer, a laptop computer, a cellular phone, a camera phone, a smart phone, a personal digital assistant, a media player, a navigation device, an email device, a game console, a tablet computer, a wearable device, or a combination of any of these devices.

[0112] For the sake of brevity, the above apparatuses are described in functional form in various units (modules). Of course, the functions of each unit (module) can be implemented in the same or multiple software and / or hardware.

[0113] Those skilled in the art will understand that the embodiments of the present specification can be provided as a method, a system, an apparatus or a computer program product. Therefore, the present specification can take the form of a complete hardware embodiment, a complete software embodiment, or an embodiment combining software and hardware aspects. Moreover, the present specification can take the form of a computer program product implemented on one or more computer-usable storage media (including but not limited to magnetic disk storage, CD-ROM, optical storage, etc.) containing computer-usable program code.

[0114] The computer program instructions can also be loaded onto a computer or other programmable data processing apparatus to cause a series of operational steps to be performed on the computer or other programmable apparatus to produce a computer implemented process such that the instructions which execute on the computer or other programmable apparatus provide steps for implementing the functions specified in the flowchart block or blocks.

[0115] These computer program instructions can also be stored in a computer readable memory that can direct a computer or other programmable data processing apparatus to function in a particular manner, such that the instructions stored in the computer readable memory produce an article of manufacture including instructions which implement the function specified in the flowchart block or blocks.

[0116] These computer program instructions can also be loaded onto a computer or other programmable data processing apparatus to cause a series of operational steps to be performed on the computer or other programmable apparatus to produce a computer implemented process such that the instructions which execute on the computer or other programmable apparatus provide steps for implementing the functions specified in the flowchart block or blocks.

[0117] In one typical configuration, the computing device includes one or more processors (CPUs), input / output interfaces, network interfaces, and memory.

[0118] The memory can include non-persistent memory and / or volatile memory, such as random access memory (RAM) and / or cache memory, for storing instructions and data used by one or more of the components of the computing device. The memory can further include non-volatile memory, such as read-only memory (ROM), electrically programmable read-only memory (EPROM), electrically erasable programmable read-only memory (EEPROM), flash memory, or other non-volatile memory.

[0119] Computer-readable media includes permanent and non-permanent, movable and non-movable media that can be implemented by any method or technology to store information. The information can be computer-readable instructions, data structures, program modules or other data. Examples of computer storage media include, but are not limited to, phase change memory (PRAM), static random access memory (SRAM), dynamic random access memory (DRAM), other types of random access memory (RAM), read-only memory (ROM), electrically erasable programmable read-only memory (EEPROM), flash memory or other memory technologies, compact disc read-only memory (CD-ROM), digital versatile disc (DVD) or other optical storage, magnetic cassette, magnetic tape, magnetic disk storage or other magnetic storage devices, or any other non-transmission medium that can be used to store information accessible to a computing device. According to the definition herein, computer-readable media does not include transitory media such as modulated data signals and carriers.

[0120] It should also be noted that the terms "comprising", "containing", or any other variant thereof are intended to cover non-exclusive inclusion, such that a process, method, article or apparatus that comprises a list of elements does not only include those elements, but can also include other elements not expressly listed or inherent to such process, method, article or apparatus. Without more limitations, the element defined by the statement "comprising a" does not exclude the presence of additional identical elements in the process, method, article or apparatus that includes the element.

[0121] Those skilled in the art will appreciate that embodiments of the present specification can be provided as methods, systems or computer program products. Therefore, the present specification can take the form of an entirely hardware embodiment, an entirely software embodiment or an embodiment combining software and hardware aspects. Moreover, the present specification can take the form of a computer program product implemented on one or more computer-usable storage media (including, but not limited to, magnetic disk storage, CD-ROM, optical storage, etc.) containing computer-usable program code.

[0122] The present specification can be described in the general context of computer-executable instructions, such as program modules, executed by computers. Generally, program modules include routines, programs, objects, components, data structures, etc. that perform particular tasks or implement particular abstract data types. The present specification can also be practiced in distributed computing environments where tasks are performed by remote processing devices connected through a communication network. In a distributed computing environment, program modules can be located in both local and remote computer storage media including storage devices.

[0123] The various embodiments described in this specification are described using a numbering of embodiments approach: these are each individually integrated contributions pertaining to different but related aspects of the description. Each of the various embodiments can stand on its own, and each can be combined with the subject matter of other embodiments to produce further embodiments. Where the same numbers appear in different embodiments, such numbers are used for the sake of ease of understanding only and do not imply that the embodiments in which such numbers appear are the same or similar.

[0124] The above description is embodied in the form of only a description of embodiments of the present specification, and is not intended to limit the present specification. Various changes and modifications can be made by those skilled in the art based on the present specification. Any modification, equivalent replacement, improvement, etc. made within the spirit and principle of the present specification should be included in the scope of the claims of the present specification.

Claims

1. A data query method based on an interstellar molecular spectrum database, the method comprising: determining a compound molecule to be queried in response to search information associated with the interstellar compound molecule input by a user; determining basic query information corresponding to the compound molecule from a pre-created interstellar molecular spectrum database; reasoning the basic query information to determine molecular spectrum theoretical data corresponding to a data type to be calculated determined by the user; returning the basic query information, the molecular spectrum theoretical data, and the reasoning process to the user.

2. The method of claim 1, wherein, determining basic query information corresponding to the compound molecule from a pre-created interstellar molecular spectrum database comprises: determining a database query request according to the compound molecule; determining molecular feature information and molecular spectrum basic information corresponding to the compound molecule from the pre-created interstellar molecular spectrum database as basic query information according to the database query request.

3. The method of claim 1, wherein, reasoning the basic query information to determine molecular spectrum theoretical data corresponding to a data type to be calculated determined by the user comprises: determining original reasoning data required for reasoning from the basic query information in response to the data type to be calculated determined by the user; determining molecular spectrum theoretical data corresponding to the data type to be calculated by reasoning through a mathematical library connected to the interstellar molecular spectrum database according to the original reasoning data.

4. The method of claim 1, wherein, pre-creating an interstellar molecular spectrum database comprises: obtaining spectral data corresponding to each interstellar compound molecule in a plurality of data sources; standardizing the spectral data to obtain data to be stored in the interstellar molecular spectrum database; storing the data to be stored through a preset tree structure according to the characteristic properties of each interstellar compound molecule in each dimension included in the data to be stored, to obtain the interstellar molecular spectrum database.

5. The method of claim 4, wherein, standardizing the spectral data to obtain data to be stored in the interstellar molecular spectrum database comprises: for each interstellar compound molecule, determining a plurality of spectral data corresponding to the interstellar compound molecule in the data to be stored as judgment data; determining correct data in the judgment data as first data corresponding to the interstellar compound molecule required to be stored in the interstellar molecular spectrum database according to a preset judgment strategy; performing data cleaning on the first data according to a preset data format to obtain data to be stored in the interstellar molecular spectrum database.

6. The method of claim 4, wherein, storing the data to be stored through a preset tree structure to obtain the interstellar molecular spectrum database, specifically comprising: storing molecular feature information in the data to be stored through a preset tree structure to obtain an initial database; for each interstellar compound molecule in the data to be stored, determining interpretation information corresponding to molecular spectrum observation data of the interstellar compound molecule according to the molecular spectrum observation data; Add the molecular spectrum observation data and the interpretation information as the molecular spectrum basic information to the initial database to obtain the interstellar molecular spectrum database.

7. The method of claim 4, wherein, The feature attributes corresponding to the data of each layer in the preset tree structure include at least one of the following: the number of atoms, the molecular weight, and the molecular structure of the interstellar compound molecule.

8. A data query device based on an interstellar molecular spectrum database, the device comprising: a determination module configured to determine a compound molecule to be queried in response to search information associated with the interstellar compound molecule input by a user; a query module configured to determine basic query information corresponding to the compound molecule from a pre-created interstellar molecular spectrum database; an analysis module configured to perform reasoning on the basic query information to determine molecular spectrum theoretical data corresponding to a data type to be calculated determined by the user; a return module configured to return the basic query information, the molecular spectrum theoretical data, and the reasoning process to the user.

9. The apparatus of claim 8, wherein, The query module is configured to: determine a database query request according to the compound molecule; and determine molecular feature information and molecular spectrum basic information corresponding to the compound molecule from the pre-created interstellar molecular spectrum database as the basic query information according to the database query request.

10. The apparatus of claim 8, wherein, The analysis module is configured to: determine original reasoning data required for reasoning from the basic query information in response to the data type to be calculated determined by the user; and perform reasoning on the original reasoning data through a mathematical library connected to the interstellar molecular spectrum database to determine the molecular spectrum theoretical data corresponding to the data type to be calculated.

11. The apparatus of claim 8, wherein, The device further comprises a pre-creation module configured to: obtain spectrum data corresponding to each interstellar compound molecule in a plurality of data sources; perform standardization processing on the spectrum data to obtain to-be-stored data required to be stored in the interstellar molecular spectrum database; store the to-be-stored data through a preset tree structure according to feature attributes of each interstellar compound molecule in the to-be-stored data in each dimension to obtain the interstellar molecular spectrum database.

12. The apparatus of claim 11, wherein, The pre-creation module is further configured to: determine, for each interstellar compound molecule, a plurality of spectrum data corresponding to the interstellar compound molecule in the to-be-stored data as to-be-judged data corresponding to the interstellar compound molecule in the data sources; determine correct data in the to-be-judged data as first data required to be stored in the interstellar molecular spectrum database corresponding to the interstellar compound molecule according to a preset judgment strategy; perform data cleaning on the first data according to a preset data format to obtain the to-be-stored data required to be stored in the interstellar molecular spectrum database.

13. The apparatus of claim 11, wherein, The pre-creation module is further configured to: store molecular feature information in the to-be-stored data through the preset tree structure to obtain an initial database; determine, for each interstellar compound molecule in the to-be-stored data, interpretation information corresponding to molecular spectrum observation data of the interstellar compound molecule according to the molecular spectrum observation data of the interstellar compound molecule; and perform reasoning on the interpretation information to determine molecular spectrum theoretical data corresponding to a data type to be calculated determined by the user. The molecular spectrum observation data and the interpretation information are added to the initial database as molecular spectrum basic information to obtain the interstellar molecular spectrum database.

14. The apparatus of claim 11, wherein, The feature attributes corresponding to the data of each layer in the preset tree structure include at least one of the following: the number of atoms, the molecular weight, and the molecular structure of the interstellar compound molecule.

15. A computer-readable storage medium, characterized in that, The storage medium stores a computer program, and the computer program is executed by the processor to implement the method in any one of claims 1-7.

16. An electronic device comprising a memory, a processor, and a computer program stored on the memory and executable on the processor, characterized in that, The processor executes the computer program to implement the method in any one of claims 1-7.

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