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feat: deprecate the camelCase methods and short attribute names in diffpy.srfit.structure - #241
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…ffpy.srfit.structure Add snake_case names matching diffpy.cmistructure for the 36 camelCase methods diffpy#236 left out, with @deprecated forwarders, and deprecated properties for angunits, scat, res, matoms, sg, strups and idx. Move internal callers and regular tests to the new names. Fix ObjCrystMoleculeParSet.get_lattice (called the missing newPar) and wrap_stretch_mode_parameters (called the missing AddAtoms). Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
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@sbillinge ready for review |
Codecov Report❌ Patch coverage is Additional details and impacted files@@ Coverage Diff @@
## main #241 +/- ##
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- Coverage 84.95% 81.96% -3.00%
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Files 44 46 +2
Lines 4886 5400 +514
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+ Hits 4151 4426 +275
- Misses 735 974 +239
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Lots of deprecation work. Please see table below for old and new names.
All deprecated names still work and raise a
DeprecationWarningpointing to the same name indiffpy.cmistructure. The new names are added todiffpy.srfit.structurewith the same spelling as indiffpy.cmistructure.Methods
basestructureparsetBaseStructureParSetcanAdaptcan_adaptbasestructureparsetBaseStructureParSetgetLatticeget_latticebasestructureparsetBaseStructureParSetgetScatterersget_scattererssrrealparsetSrRealParSetuseSymmetryuse_symmetrysrrealparsetSrRealParSetusingSymmetryusing_symmetrycctbxparsetCCTBXCrystalParSetgetSpaceGroupget_space_groupsgconstraintsBaseSpaceGroupParametersaddParameteradd_parameterobjcrystparsetObjCrystScattererParSetisDummyis_dummyobjcrystparsetObjCrystScattererParSethasScatterershas_scatterersobjcrystparsetStretchModeParameteraddAtomsadd_atomsobjcrystparsetObjCrystMoleculeParSetcanAdaptcan_adaptobjcrystparsetObjCrystMoleculeParSetuseSymmetryuse_symmetryobjcrystparsetObjCrystMoleculeParSetusingSymmetryusing_symmetryobjcrystparsetObjCrystMoleculeParSetgetLatticeget_latticeobjcrystparsetObjCrystMoleculeParSetgetScatterersget_scatterersobjcrystparsetObjCrystMoleculeParSetwrapRestraintswrap_restraintsobjcrystparsetObjCrystMoleculeParSetwrapStretchModeParameterswrap_stretch_mode_parametersobjcrystparsetObjCrystMoleculeParSetrestrainBondLengthrestrain_bond_lengthobjcrystparsetObjCrystMoleculeParSetrestrainBondLengthParameterrestrain_bond_length_parameterobjcrystparsetObjCrystMoleculeParSetrestrainBondAnglerestrain_bond_angleobjcrystparsetObjCrystMoleculeParSetrestrainBondAngleParameterrestrain_bond_angle_parameterobjcrystparsetObjCrystMoleculeParSetrestrainDihedralAnglerestrain_dihedral_angleobjcrystparsetObjCrystMoleculeParSetrestrainDihedralAngleParameterrestrain_dihedral_angle_parameterobjcrystparsetObjCrystMoleculeParSetaddBondLengthParameteradd_bond_length_parameterobjcrystparsetObjCrystMoleculeParSetaddBondAngleParameteradd_bond_angle_parameterobjcrystparsetObjCrystMoleculeParSetaddDihedralAngleParameteradd_dihedral_angle_parameterAttributes
diffpyparsetDiffpyLatticeParSet.angunits.angle_unitsobjcrystparsetObjCrystCrystalParSet.angunits.angle_unitsobjcrystparsetObjCrystScattererParSet.scat.scattererobjcrystparsetObjCrystMoleculeRestraint.res.restraintobjcrystparsetStretchModeParameter.matoms.mutated_atomssgconstraintsSpaceGroupParameters.sg.space_groupcctbxparsetCCTBXScattererParSet.strups.structure_parameter_setcctbxparsetCCTBXScattererParSet.idx.indexcctbxparsetCCTBXUnitCellParSet.strups.structure_parameter_setBug fixes
ObjCrystMoleculeParSet.get_latticeAttributeError(called the missingnewPar)ObjCrystMoleculeParSet.wrap_stretch_mode_parametersAttributeErrorfor any molecule with stretch modes (called the missingAddAtoms)