CN117351102A - Nuclear magnetic resonance spectrogram determination method, device, equipment and storage medium - Google Patents
Nuclear magnetic resonance spectrogram determination method, device, equipment and storage medium Download PDFInfo
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- CN117351102A CN117351102A CN202210783625.4A CN202210783625A CN117351102A CN 117351102 A CN117351102 A CN 117351102A CN 202210783625 A CN202210783625 A CN 202210783625A CN 117351102 A CN117351102 A CN 117351102A
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- 238000000034 method Methods 0.000 title claims abstract description 37
- 238000005481 NMR spectroscopy Methods 0.000 title claims abstract description 21
- 239000000126 substance Substances 0.000 claims abstract description 50
- 238000001228 spectrum Methods 0.000 claims abstract description 13
- 238000000655 nuclear magnetic resonance spectrum Methods 0.000 claims description 10
- 238000004364 calculation method Methods 0.000 abstract description 9
- 238000010586 diagram Methods 0.000 abstract description 5
- 238000013461 design Methods 0.000 abstract description 4
- 238000002474 experimental method Methods 0.000 abstract description 3
- 238000004590 computer program Methods 0.000 description 13
- 238000012545 processing Methods 0.000 description 5
- 238000003775 Density Functional Theory Methods 0.000 description 4
- OKTJSMMVPCPJKN-UHFFFAOYSA-N Carbon Chemical compound [C] OKTJSMMVPCPJKN-UHFFFAOYSA-N 0.000 description 3
- UFHFLCQGNIYNRP-UHFFFAOYSA-N Hydrogen Chemical compound [H][H] UFHFLCQGNIYNRP-UHFFFAOYSA-N 0.000 description 3
- 229910052799 carbon Inorganic materials 0.000 description 3
- 230000008878 coupling Effects 0.000 description 3
- 238000010168 coupling process Methods 0.000 description 3
- 238000005859 coupling reaction Methods 0.000 description 3
- 230000006870 function Effects 0.000 description 3
- 229910052739 hydrogen Inorganic materials 0.000 description 3
- 239000001257 hydrogen Substances 0.000 description 3
- 238000004891 communication Methods 0.000 description 2
- 238000006073 displacement reaction Methods 0.000 description 2
- 238000004836 empirical method Methods 0.000 description 2
- 238000005457 optimization Methods 0.000 description 2
- 238000003491 array Methods 0.000 description 1
- 230000009286 beneficial effect Effects 0.000 description 1
- 238000004422 calculation algorithm Methods 0.000 description 1
- 230000003247 decreasing effect Effects 0.000 description 1
- 238000005516 engineering process Methods 0.000 description 1
- 239000000284 extract Substances 0.000 description 1
- 238000012986 modification Methods 0.000 description 1
- 230000004048 modification Effects 0.000 description 1
- 230000005311 nuclear magnetism Effects 0.000 description 1
- 230000003287 optical effect Effects 0.000 description 1
- 238000006467 substitution reaction Methods 0.000 description 1
- CZDYPVPMEAXLPK-UHFFFAOYSA-N tetramethylsilane Chemical compound C[Si](C)(C)C CZDYPVPMEAXLPK-UHFFFAOYSA-N 0.000 description 1
- 230000000007 visual effect Effects 0.000 description 1
Classifications
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- G—PHYSICS
- G06—COMPUTING; CALCULATING OR COUNTING
- G06T—IMAGE DATA PROCESSING OR GENERATION, IN GENERAL
- G06T11/00—2D [Two Dimensional] image generation
- G06T11/003—Reconstruction from projections, e.g. tomography
-
- G—PHYSICS
- G01—MEASURING; TESTING
- G01R—MEASURING ELECTRIC VARIABLES; MEASURING MAGNETIC VARIABLES
- G01R33/00—Arrangements or instruments for measuring magnetic variables
- G01R33/20—Arrangements or instruments for measuring magnetic variables involving magnetic resonance
- G01R33/44—Arrangements or instruments for measuring magnetic variables involving magnetic resonance using nuclear magnetic resonance [NMR]
- G01R33/48—NMR imaging systems
-
- G—PHYSICS
- G06—COMPUTING; CALCULATING OR COUNTING
- G06T—IMAGE DATA PROCESSING OR GENERATION, IN GENERAL
- G06T7/00—Image analysis
- G06T7/0002—Inspection of images, e.g. flaw detection
-
- G—PHYSICS
- G06—COMPUTING; CALCULATING OR COUNTING
- G06T—IMAGE DATA PROCESSING OR GENERATION, IN GENERAL
- G06T2207/00—Indexing scheme for image analysis or image enhancement
- G06T2207/10—Image acquisition modality
- G06T2207/10004—Still image; Photographic image
- G06T2207/10008—Still image; Photographic image from scanner, fax or copier
-
- G—PHYSICS
- G06—COMPUTING; CALCULATING OR COUNTING
- G06T—IMAGE DATA PROCESSING OR GENERATION, IN GENERAL
- G06T2207/00—Indexing scheme for image analysis or image enhancement
- G06T2207/10—Image acquisition modality
- G06T2207/10072—Tomographic images
- G06T2207/10088—Magnetic resonance imaging [MRI]
Abstract
The present disclosure relates to a method, a device, equipment and a storage medium for determining a nuclear magnetic resonance spectrogram, wherein the method comprises the steps of obtaining an original scanning image of flexible scanning, and generating at least one conformation and a corresponding weight according to the original scanning image; determining a corresponding first chemical shift for each atom in each of the conformations using each conformation and its corresponding weight; generating a nuclear magnetic resonance spectrogram corresponding to each conformation according to the first chemical shift corresponding to each atom in each conformation. The present disclosure does not require any complex setup and learning software use, only provides molecular structure or cartesian coordinates, and selects the type of task required. Only one task is submitted to obtain a nuclear magnetic spectrum diagram, so that the threshold of theoretical calculation is greatly reduced, and more people can use the theoretical calculation to assist experiments and designs. Saving time and enabling all results to be uniform and reliable.
Description
Technical Field
The disclosure relates to the technical field of image processing, and in particular relates to a method, a device, equipment and a storage medium for determining a nuclear magnetic resonance spectrogram.
Background
Nuclear magnetic resonance spectroscopy is a method for enabling atomic nuclei in a magnetic field to transit between two spin split energy levels through microwaves and finally obtaining the chemical environment of the atomic nuclei, but the nuclear magnetic resonance spectroscopy has a higher resolution threshold, and a certain technology is needed for corresponding the atomic nuclei to a displacement peak.
The Chemdraw software can predict the hydrogen spectrum and the carbon spectrum, has high calculation speed, calculates the influence of nearby groups and atoms on the chemical environment based on an empirical method, and obtains a chemical shift spectrogram.
Chemdraw is an empirical method, so that the method has a small consideration range and low calculation accuracy, can only calculate a carbon spectrum and a hydrogen spectrum, can only calculate a single molecule, and cannot consider the influence of subgroup elements and part of main group elements on chemical shift.
The main stream of quantitative calculation software can calculate a nuclear magnetic spectrum, calculate magnetic shielding tensors of atomic nuclei based on DFT and other methods, and then obtain the nuclear magnetic spectrum through gaussview and other visual software, but the operation is complex, structural optimization is needed, flexible scanning is needed, conformational distribution is calculated, a series of keywords and parameters are provided, a non-built-in basis group is manually input, and the results are weighted evenly and the like.
The main flow quantification software is complex to operate, requires structure optimization, flexible scanning and conformational distribution calculation, provides a series of keywords and parameters, manually inputs a non-built-in base group, weights the results evenly, is unfriendly to general users, and has high learning cost.
Disclosure of Invention
The present disclosure aims to provide a method, an apparatus, a device and a storage medium for determining a nuclear magnetic resonance spectrogram, which can obtain a nuclear magnetic resonance hydrogen spectrum, a carbon spectrum and other needed spectrograms which are more precisely matched with an experimental result by drawing a molecular structure or directly pasting cartesian coordinates and checking and calculating nuclear magnetism.
The first aspect of the present disclosure provides a method for determining a nuclear magnetic resonance spectrum, including:
acquiring an original scanning image of flexible scanning, and generating at least one conformation and a corresponding weight according to the original scanning image;
determining a corresponding first chemical shift for each atom in each of the conformations using each conformation and its corresponding weight;
generating a nuclear magnetic resonance spectrogram corresponding to each conformation according to the first chemical shift corresponding to each atom in each conformation.
A second aspect of the present disclosure provides a determination apparatus for a nuclear magnetic resonance spectrogram, including:
the acquisition module acquires an original scanning image of flexible scanning, and generates at least one conformation and a corresponding weight according to the original scanning image;
a determining module for determining a corresponding first chemical shift of each atom in each of the conformations using each conformation and its corresponding weight;
and the generation module is used for generating a nuclear magnetic resonance spectrogram corresponding to each conformation according to the first chemical displacement corresponding to each atom in each conformation.
A third aspect of the present disclosure provides an electronic device, comprising: a memory and one or more processors;
the memory is used for storing one or more programs;
the one or more programs, when executed by the one or more processors, cause the one or more processors to implement a method of determining a nuclear magnetic resonance spectrogram as provided by any of the embodiments.
A fourth aspect of the present disclosure provides a storage medium containing computer executable instructions which, when implemented by a computer processor, implement a method of determining a nuclear magnetic resonance spectrogram as provided by any of the embodiments.
From the above, the present disclosure does not require any complex setup and learning software use, only provides molecular structure or cartesian coordinates, and selects the type of task required. Only one task is submitted to obtain a nuclear magnetic spectrum diagram, so that the threshold of theoretical calculation is greatly reduced, and more people can use the theoretical calculation to assist experiments and designs. Because each part of tasks are synchronously carried out and the same structure is adopted to optimize the results, the time is saved, and all the results are unified and reliable.
Drawings
FIG. 1 is a flow chart of a method of determining a nuclear magnetic resonance spectrum in an embodiment of the present disclosure;
FIG. 2 is another flow chart of a method of determining a nuclear magnetic resonance spectrum in an embodiment of the present disclosure;
FIG. 3 is another flow chart of a method of determining a nuclear magnetic resonance spectrum in an embodiment of the present disclosure;
fig. 4 is a schematic structural diagram of a determination device of a nuclear magnetic resonance spectrum in an embodiment of the disclosure;
fig. 5 is a schematic structural diagram of an electronic device according to an embodiment of the present disclosure.
Detailed Description
The present disclosure is described in further detail below with reference to the drawings and examples. It is to be understood that the specific embodiments described herein are merely illustrative of the present disclosure and not limiting thereof. It should be further noted that, for convenience of description, only some, but not all of the structures related to the present disclosure are shown in the drawings.
As shown in fig. 1, the present disclosure provides a method for determining a nuclear magnetic resonance spectrum, including:
s110, acquiring an original scanning image of flexible scanning, and generating at least one conformation and a corresponding weight according to the original scanning image;
the obtaining the original scanning image of the flexible scanning, generating at least one conformation and the corresponding weight according to the original scanning image comprises the following steps: providing coordinate information of each atom under molecular structure or Cartesian coordinates, and scanning the bond length and bond angle of the molecular structure. The molecular structure is input at the website when submitting the task, or the structural formula is converted into coordinates, and the website returns in json format. The output file of the calculation software contains coordinates, and according to the difference of the calculation software, the coordinates can be extracted by using regular matching or can be directly obtained from a numpy array. Conformational refers to the same molecular structure, and the coordinates are different due to different parameters such as bond length, bond angle, dihedral angle, etc.
The method for obtaining the original scanning image of the flexible scanning further comprises the following steps before generating at least one conformation and the weight thereof according to the original scanning image: and searching the energy of the molecular structure so that the molecular structure reaches an energy preset state, and in the method, the molecular structure reaches the energy minimum state.
The method comprises the steps of obtaining an original scanning image of flexible scanning, generating at least one conformation and corresponding weight according to the original scanning image, and calculating by adopting the following formula:
ni/nj = E (- Δe/kT), where ni/nj is the ratio of either conformation i to the reference conformation j, Δe is the energy difference between the two conformations, k is the boltzmann constant, and T is the thermodynamic temperature.
S120, determining corresponding first chemical shifts of each atom in each conformation by using each conformation and corresponding weight thereof;
as shown in fig. 2, the determining, using each conformation and its corresponding weight, the corresponding first chemical shift of each atom in each of the conformations specifically includes:
s210, comparing the nuclear shielding vector corresponding to each atom in each conformation with the nuclear shielding vector of a standard substance, generating a second chemical shift corresponding to each atom in each conformation, calculating the nuclear shielding vector by using a density functional theory (Density functional theory, abbreviated as DFT), wherein the nuclear shielding vector refers to that the nuclear shielding constants of all directions in space are different, and the standard substance is preferably (Tetramethylsilane);
s220, calculating the first chemical shift according to the second chemical shift corresponding to each atom in each conformation.
The calculating the first chemical shift from the second chemical shift for each atom in each of the conformations is calculated using the formula:
δ=Σi (σi×δi), where δ is the weight to obtain the first chemical shift σi of the atom as the conformation i, and δi is the second chemical shift of an atom in the conformation i.
S130, generating a nuclear magnetic resonance spectrogram corresponding to each conformation according to the first chemical shift corresponding to each atom in each conformation.
As shown in fig. 3, generating a nuclear magnetic resonance spectrum corresponding to each of the conformations according to the first chemical shift corresponding to each of the atoms in each of the conformations specifically includes:
s310, merging the first chemical shifts with the difference value within a certain range by using a numpy array to obtain the integral height of each chemical shift peak, and uploading the integral height to a database;
and S320, the front page is mapped according to the numpy array to obtain a displayed nuclear magnetic spectrogram.
The present disclosure does not require any complex setup and learning software use, only provides molecular structure or coordinates (extracts cartesian coordinates), and selects the type of task required. The nuclear magnetic spectrum information can be obtained by submitting one task, so that the threshold of theoretical calculation is greatly reduced, and more people can use the theoretical calculation to assist experiments and designs. Because each part of tasks are synchronously carried out and the same structure is adopted to optimize the results, the time and the time are saved, and all the results are unified and reliable.
As shown in fig. 4, the present disclosure provides a determination apparatus for nuclear magnetic resonance spectrogram, including:
an acquisition module 401, configured to acquire an original scan image of a flexible scan, and generate at least one conformation and a weight corresponding to the conformation according to the original scan image;
a determination module 402 for determining a corresponding first chemical shift for each atom in each of the conformations using each conformation and its corresponding weight;
a generating module 403, configured to generate a nuclear magnetic resonance spectrogram corresponding to each conformation according to the first chemical shift corresponding to each atom in each conformation.
The acquisition module 401 is configured to provide coordinate information of each atom in a molecular structure or cartesian coordinates.
The obtaining module 401 is further configured to perform energy search on the molecular structure, so that the molecular structure reaches an energy preset state.
The obtaining module 401 is configured to calculate using the following formula:
ni/nj = E (- Δe/kT), where ni/nj is the ratio of either conformation i to the reference conformation k, Δe is the energy difference between the two conformations, k is the boltzmann constant, and T is the thermodynamic temperature.
The determining module 402 is configured to compare the nuclear shielding vector corresponding to each atom in each of the conformations with the nuclear shielding vector of the standard, and generate a second chemical shift corresponding to each atom in each of the conformations;
the generation module 403 is configured to calculate the first chemical shift from the second chemical shift corresponding to each atom in each of the conformations.
The generation module 403 calculates using the following equation:
δ=Σi (σi×δi), where δ is the weight to obtain the first chemical shift σi of the atom as the conformation i, and δi is the second chemical shift of an atom in the conformation i.
The generating module 403 combines the first chemical shifts with the difference value within a certain range by using a numpy array to obtain an integral height of each chemical shift peak, and uploads the integral height to a database; and the front page is mapped according to the numpy array to obtain a displayed nuclear magnetic spectrum.
The device for determining the nuclear magnetic resonance spectrogram provided by the embodiment of the disclosure can execute the method for determining the nuclear magnetic resonance spectrogram provided by any embodiment of the disclosure, and has the corresponding functional modules and beneficial effects of the execution method.
Fig. 5 is a schematic diagram of an electronic device provided by an embodiment of the present disclosure. As shown in fig. 5, the electronic apparatus 5 of this embodiment includes: a processor 501, a memory 502 and a computer program 503 stored in the memory 502 and executable on the processor 501. The steps of the various method embodiments described above are implemented by processor 501 when executing computer program 503. Alternatively, the processor 501, when executing the computer program 503, performs the functions of the modules/units in the above-described apparatus embodiments.
Illustratively, the computer program 503 may be partitioned into one or more modules/units, which are stored in the memory 502 and executed by the processor 501 to complete the present disclosure. One or more of the modules/units may be a series of computer program instruction segments capable of performing a specific function for describing the execution of the computer program 503 in the electronic device 5.
The electronic device 5 may be a desktop computer, a notebook computer, a palm computer, a cloud server, or the like. The electronic device 5 may include, but is not limited to, a processor 501 and a memory 502. It will be appreciated by those skilled in the art that fig. 5 is merely an example of the electronic device 5 and is not meant to be limiting as the electronic device 5 may include more or fewer components than shown, or may combine certain components, or different components, e.g., the electronic device may further include an input-output device, a network access device, a bus, etc.
The processor 501 may be a central processing unit (Central Processing Unit, CPU), but may also be other general purpose processors, digital signal processors (Digital Signal Processor, DSP), application specific integrated circuits (Application Specific Integrated Circuit, ASIC), field-Programmable gate arrays (FPGA) or other Programmable logic devices, discrete gate or transistor logic devices, discrete hardware components, or the like. A general purpose processor may be a microprocessor or the processor may be any conventional processor or the like.
The memory 502 may be an internal storage unit of the electronic device 5, for example, a hard disk or a memory of the electronic device 5. The memory 502 may also be an external storage device of the electronic device 5, for example, a plug-in hard disk, a Smart Media Card (SMC), a Secure Digital (SD) Card, a Flash Card (Flash Card) or the like, which are provided on the electronic device 5. Further, the memory 502 may also include both internal storage units and external storage devices of the electronic device 5. The memory 502 is used to store computer programs and other programs and data required by the electronic device. The memory 502 may also be used to temporarily store data that has been output or is to be output.
It will be apparent to those skilled in the art that, for convenience and brevity of description, only the above-described division of the functional units and modules is illustrated, and in practical application, the above-described functional distribution may be performed by different functional units and modules according to needs, i.e. the internal structure of the apparatus is divided into different functional units or modules to perform all or part of the above-described functions. The functional units and modules in the embodiment may be integrated in one processing unit, or each unit may exist alone physically, or two or more units may be integrated in one unit, where the integrated units may be implemented in a form of hardware or a form of a software functional unit. In addition, specific names of the functional units and modules are only for convenience of distinguishing from each other, and are not used for limiting the protection scope of the present application. The specific working process of the units and modules in the above system may refer to the corresponding process in the foregoing method embodiment, which is not described herein again.
In the foregoing embodiments, the descriptions of the embodiments are emphasized, and in part, not described or illustrated in any particular embodiment, reference is made to the related descriptions of other embodiments.
Those of ordinary skill in the art will appreciate that the various illustrative elements and algorithm steps described in connection with the embodiments disclosed herein may be implemented as electronic hardware, or combinations of computer software and electronic hardware. Whether such functionality is implemented as hardware or software depends upon the particular application and design constraints imposed on the solution. Skilled artisans may implement the described functionality in varying ways for each particular application, but such implementation decisions should not be interpreted as causing a departure from the scope of the present disclosure.
In the embodiments provided in the present disclosure, it should be understood that the disclosed apparatus/electronic device and method may be implemented in other manners. For example, the apparatus/electronic device embodiments described above are merely illustrative, e.g., the division of modules or elements is merely a logical functional division, and there may be additional divisions of actual implementations, multiple elements or components may be combined or integrated into another system, or some features may be omitted, or not performed. Alternatively, the coupling or direct coupling or communication connection shown or discussed may be an indirect coupling or communication connection via interfaces, devices or units, which may be in electrical, mechanical or other forms.
The units described as separate units may or may not be physically separate, and units shown as units may or may not be physical units, may be located in one place, or may be distributed over a plurality of network units. Some or all of the units may be selected according to actual needs to achieve the purpose of the solution of this embodiment.
In addition, each functional unit in each embodiment of the present disclosure may be integrated in one processing unit, or each unit may exist alone physically, or two or more units may be integrated in one unit. The integrated units may be implemented in hardware or in software functional units.
The integrated modules/units, if implemented in the form of software functional units and sold or used as stand-alone products, may be stored in a computer readable storage medium. Based on such understanding, the present disclosure may implement all or part of the flow of the method of the above-described embodiments, or may be implemented by a computer program to instruct related hardware, and the computer program may be stored in a computer readable storage medium, where the computer program, when executed by a processor, may implement the steps of the method embodiments described above. The computer program may comprise computer program code, which may be in source code form, object code form, executable file or in some intermediate form, etc. The computer readable medium may include: any entity or device capable of carrying computer program code, a recording medium, a U disk, a removable hard disk, a magnetic disk, an optical disk, a computer Memory, a Read-Only Memory (ROM), a random access Memory (Random Access Memory, RAM), an electrical carrier signal, a telecommunications signal, a software distribution medium, and so forth. It should be noted that the content of the computer readable medium can be appropriately increased or decreased according to the requirements of the jurisdiction's jurisdiction and the patent practice, for example, in some jurisdictions, the computer readable medium does not include electrical carrier signals and telecommunication signals according to the jurisdiction and the patent practice.
The above embodiments are merely for illustrating the technical solution of the present disclosure, and are not limiting thereof; although the present disclosure has been described in detail with reference to the foregoing embodiments, it should be understood by those of ordinary skill in the art that: the technical scheme described in the foregoing embodiments can be modified or some technical features thereof can be replaced by equivalents; such modifications and substitutions do not depart from the spirit and scope of the technical solutions of the embodiments of the disclosure, and are intended to be included in the scope of the present disclosure.
Claims (10)
1. A method for determining a nuclear magnetic resonance spectrum, comprising:
acquiring an original scanning image of flexible scanning, and generating at least one conformation and a corresponding weight according to the original scanning image;
determining a corresponding first chemical shift for each atom in each of the conformations using each conformation and its corresponding weight;
generating a nuclear magnetic resonance spectrogram corresponding to each conformation according to the first chemical shift corresponding to each atom in each conformation.
2. The method of claim 1, wherein the acquiring an original scan image of the flexible scan, generating at least one constellation and its corresponding weights from the original scan image comprises: providing coordinate information of each atom in molecular structure or Cartesian coordinates.
3. The method of claim 2, wherein the acquiring the original scan image of the flexible scan, before generating at least one conformation and its weight from the original scan image, further comprises: and carrying out energy search on the molecular structure so that the molecular structure reaches an energy preset state.
4. The method of claim 1, wherein obtaining an original scan image of a flexible scan, generating at least one constellation and its corresponding weight from the original scan image is calculated using the formula:
ni/nj = E (- Δe/kT), where ni/nj is the ratio of either conformation i to the reference conformation j, Δe is the energy difference between the two conformations, k is the boltzmann constant, and T is the thermodynamic temperature.
5. The method of claim 1, wherein determining the corresponding first chemical shift for each atom in each of the conformations using each conformation and its corresponding weight comprises:
comparing the nuclear shielding vector corresponding to each atom in each conformation with the nuclear shielding vector of the standard substance to generate a second chemical shift corresponding to each atom in each conformation;
the first chemical shift is calculated from the second chemical shift corresponding to each atom in each of the conformations.
6. The method of claim 5, wherein said calculating a first chemical shift from a second chemical shift for each atom in each of said conformations is calculated using the formula:
δ=Σi (σi×δi), where δ is the weight to obtain the first chemical shift σi of the atom as the conformation i, and δi is the second chemical shift of an atom in the conformation i.
7. The method of claim 1, wherein generating a nuclear magnetic resonance spectrum corresponding to each of the conformations based on the first chemical shift corresponding to each of the atoms in each of the conformations comprises:
combining the first chemical shifts with the difference value within a certain range by using a numpy array to obtain the integral height of each chemical shift peak, and uploading the integral height to a database;
and the front page is mapped according to the numpy array to obtain a displayed nuclear magnetic spectrum.
8. A nuclear magnetic resonance spectrum determining apparatus, comprising:
the acquisition module is used for acquiring an original scanning image of the flexible scanning, and generating at least one conformation and a corresponding weight according to the original scanning image;
a determining module for determining a corresponding first chemical shift for each atom in each of said conformations using each conformation and its corresponding weight;
and the generation module is used for generating a nuclear magnetic resonance spectrogram corresponding to each conformation according to the first chemical shift corresponding to each atom in each conformation.
9. An electronic device, comprising: a memory and one or more processors;
the memory is used for storing one or more programs;
the one or more programs, when executed by the one or more processors, cause the one or more processors to implement the method of any of claims 1-7.
10. A storage medium containing computer executable instructions which, when executed by a computer processor, implement the method of any one of claims 1-7.
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