Substantial changes to UMIST node and minor update to generators.py #59
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…ng rate coefficients. Also fixed dataset refs, but source formatting still needs fixing.
…ng rate coefficients. Also fixed dataset refs, but source formatting still needs fixing.
…nd b) restrict queries to the relevant database subset
… In particular sources, atoms, molecules, functions, methods, collision fit function references, source references, collision parameters and arguments.
…frequently refers to more than one source). Addition of new columns to sources to fit with xsams schema. (Also populated this data.) Addition of decorator method to return list of authors. Addition of new columns to Species table to facilitate additon of relevant data for atoms and particles. Removal of vamdc_inchi and vamdc_inchikey, additon of vamdc_species_id. Addtion of decorator method to strip charge from stoic_formula (for atom element symbol). Addition of decorator method to RxnData to interpret the accuracy field. Addition of new Functions and associated FunctionParamsArgs tables and models. Addition of new Methods table and model.
…es. Removed InChI from restrictables. Added Particle properties to returnables
…ST database. Sources are now organised in an XSAMS friendly manner. Functions, Function params and arguments, Methods now added. New columns added to Species database for population of fields for both atoms and molecules. Reactions are returned with accuracy settings, fit function references and source references correctly, along with the relevant parameters and values depending on the specific fit function to which the reaction is related. Particles are now returned and species ids populated in the database. More restrictables are now supported and deprecated ones removed.
…missing functionRef quotes in collision fit data
…t AtomSpeciesID, altered FunctionParameter items to refer to FunctionParameter, not Parameter
…ist. Refactored the code (ideas from chianti) to facilitate constrained queries or SELECT SPECIES query. Deprecated use of where2q in favour of sql2Q.
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I've refactored my UMIST database and changed queryfunc.py, dictionaries.py and models.py accordingly. This fixes sources, fit functions, methods, etc.
I've also made two minor changes to generators.py
NOTE: There are still some unresolved issues with generators.py: