diff --git a/cif_core.dic b/cif_core.dic index 79c45ee..f22f3d3 100644 --- a/cif_core.dic +++ b/cif_core.dic @@ -23929,7 +23929,6 @@ save_atom_type.atomic_mass _type.container Single _type.contents Real _enumeration.def_index_id '_atom_type.symbol' - _units.code dalton _import.get [{'file':templ_enum.cif 'save':atomic_mass}] @@ -23951,7 +23950,6 @@ save_atom_type.atomic_number _type.contents Integer _enumeration.range 1: _enumeration.def_index_id '_atom_type.element_symbol' - _units.code none _import.get [{'file':templ_enum.cif 'save':atomic_number}] @@ -24025,7 +24023,6 @@ save_atom_type.electron_count _type.contents Integer _enumeration.range 1: _enumeration.def_index_id '_atom_type.symbol' - _units.code none _import.get [{'file':templ_enum.cif 'save':electron_count}] @@ -24175,7 +24172,6 @@ save_atom_type.radius_bond _type.contents Real _enumeration.range 0.0:5.0 _enumeration.def_index_id '_atom_type.symbol' - _units.code angstroms _import.get [{'file':templ_enum.cif 'save':radius_bond}] @@ -24263,7 +24259,6 @@ save_atom_type_scat.cromer_mann_a1 _name.category_id atom_type_scat _name.object_id Cromer_Mann_a1 - _units.code none _import.get [ @@ -24284,7 +24279,6 @@ save_atom_type_scat.cromer_mann_a2 _name.category_id atom_type_scat _name.object_id Cromer_Mann_a2 - _units.code none _import.get [ @@ -24305,7 +24299,6 @@ save_atom_type_scat.cromer_mann_a3 _name.category_id atom_type_scat _name.object_id Cromer_Mann_a3 - _units.code none _import.get [ @@ -24326,7 +24319,6 @@ save_atom_type_scat.cromer_mann_a4 _name.category_id atom_type_scat _name.object_id Cromer_Mann_a4 - _units.code none _import.get [ @@ -24347,7 +24339,6 @@ save_atom_type_scat.cromer_mann_b1 _name.category_id atom_type_scat _name.object_id Cromer_Mann_b1 - _units.code angstrom_squared _import.get [ @@ -24368,7 +24359,6 @@ save_atom_type_scat.cromer_mann_b2 _name.category_id atom_type_scat _name.object_id Cromer_Mann_b2 - _units.code angstrom_squared _import.get [ @@ -24389,7 +24379,6 @@ save_atom_type_scat.cromer_mann_b3 _name.category_id atom_type_scat _name.object_id Cromer_Mann_b3 - _units.code angstrom_squared _import.get [ @@ -24410,7 +24399,6 @@ save_atom_type_scat.cromer_mann_b4 _name.category_id atom_type_scat _name.object_id Cromer_Mann_b4 - _units.code angstrom_squared _import.get [ @@ -24431,7 +24419,6 @@ save_atom_type_scat.cromer_mann_c _name.category_id atom_type_scat _name.object_id Cromer_Mann_c - _units.code none _import.get [ @@ -24555,7 +24542,6 @@ save_atom_type_scat.dispersion_imag_cu _type.container Single _type.contents Real _enumeration.def_index_id '_atom_type.element_symbol' - _units.code none _import.get [{'file':templ_enum.cif 'save':dispersion_imag_cu}] @@ -24578,7 +24564,6 @@ save_atom_type_scat.dispersion_imag_mo _type.container Single _type.contents Real _enumeration.def_index_id '_atom_type.element_symbol' - _units.code none _import.get [{'file':templ_enum.cif 'save':dispersion_imag_mo}] @@ -24636,7 +24621,6 @@ save_atom_type_scat.dispersion_real_cu _type.container Single _type.contents Real _enumeration.def_index_id '_atom_type.element_symbol' - _units.code none _import.get [{'file':templ_enum.cif 'save':dispersion_real_cu}] @@ -24659,7 +24643,6 @@ save_atom_type_scat.dispersion_real_mo _type.container Single _type.contents Real _enumeration.def_index_id '_atom_type.element_symbol' - _units.code none _import.get [{'file':templ_enum.cif 'save':dispersion_real_mo}] @@ -24873,7 +24856,6 @@ save_atom_type_scat.hi_ang_fox_c0 _definition.id '_atom_type_scat.hi_ang_Fox_c0' _name.category_id atom_type_scat _name.object_id hi_ang_Fox_c0 - _units.code none _import.get [ @@ -24888,7 +24870,6 @@ save_atom_type_scat.hi_ang_fox_c1 _definition.id '_atom_type_scat.hi_ang_Fox_c1' _name.category_id atom_type_scat _name.object_id hi_ang_Fox_c1 - _units.code angstroms _import.get [ @@ -24903,7 +24884,6 @@ save_atom_type_scat.hi_ang_fox_c2 _definition.id '_atom_type_scat.hi_ang_Fox_c2' _name.category_id atom_type_scat _name.object_id hi_ang_Fox_c2 - _units.code angstrom_squared _import.get [ @@ -24918,7 +24898,6 @@ save_atom_type_scat.hi_ang_fox_c3 _definition.id '_atom_type_scat.hi_ang_Fox_c3' _name.category_id atom_type_scat _name.object_id hi_ang_Fox_c3 - _units.code angstrom_cubed _import.get [ diff --git a/templ_enum.cif b/templ_enum.cif index e62b9e8..d31e478 100644 --- a/templ_enum.cif +++ b/templ_enum.cif @@ -873,6 +873,8 @@ save_units_code save_atomic_number + _units.code none + loop_ _enumeration_default.index _enumeration_default.value @@ -906,6 +908,8 @@ save_ save_electron_count + _units.code none + loop_ _enumeration_default.index _enumeration_default.value @@ -1006,6 +1010,8 @@ save_ion_to_element save_atomic_mass + _units.code dalton + loop_ _enumeration_default.index _enumeration_default.value @@ -1056,6 +1062,8 @@ save_atomic_mass save_radius_bond + _units.code angstroms + loop_ _enumeration_default.index _enumeration_default.value @@ -1106,6 +1114,8 @@ save_radius_bond save_length_neutron + _units.code femtometres + loop_ _enumeration_default.index _enumeration_default.value @@ -1156,6 +1166,8 @@ save_length_neutron save_dispersion_real_cu + _units.code none + loop_ _enumeration_default.index _enumeration_default.value @@ -1184,6 +1196,8 @@ save_ save_dispersion_imag_cu + _units.code none + loop_ _enumeration_default.index _enumeration_default.value @@ -1212,6 +1226,8 @@ save_ save_dispersion_real_mo + _units.code none + loop_ _enumeration_default.index _enumeration_default.value @@ -1240,6 +1256,8 @@ save_ save_dispersion_imag_mo + _units.code none + loop_ _enumeration_default.index _enumeration_default.value @@ -1269,6 +1287,8 @@ save_ save_cromer_mann_a1 + _units.code none + loop_ _enumeration_default.index _enumeration_default.value @@ -1319,6 +1339,8 @@ save_cromer_mann_a1 save_cromer_mann_b1 + _units.code angstrom_squared + loop_ _enumeration_default.index _enumeration_default.value @@ -1369,6 +1391,8 @@ save_cromer_mann_b1 save_cromer_mann_a2 + _units.code none + loop_ _enumeration_default.index _enumeration_default.value @@ -1419,6 +1443,8 @@ save_cromer_mann_a2 save_cromer_mann_b2 + _units.code angstrom_squared + loop_ _enumeration_default.index _enumeration_default.value @@ -1469,6 +1495,8 @@ save_cromer_mann_b2 save_cromer_mann_a3 + _units.code none + loop_ _enumeration_default.index _enumeration_default.value @@ -1519,6 +1547,8 @@ save_cromer_mann_a3 save_cromer_mann_b3 + _units.code angstrom_squared + loop_ _enumeration_default.index _enumeration_default.value @@ -1569,7 +1599,9 @@ save_cromer_mann_b3 save_cromer_mann_a4 - loop_ + _units.code none + + loop_ _enumeration_default.index _enumeration_default.value H .04081 D .04081 H1- .116973 He 0.178 Li .4653 @@ -1619,6 +1651,8 @@ save_cromer_mann_a4 save_cromer_mann_b4 + _units.code angstrom_squared + loop_ _enumeration_default.index _enumeration_default.value @@ -1669,6 +1703,8 @@ save_cromer_mann_b4 save_cromer_mann_c + _units.code none + loop_ _enumeration_default.index _enumeration_default.value @@ -1719,6 +1755,8 @@ save_cromer_mann_c save_hi_ang_fox_c0 + _units.code none + loop_ _enumeration_default.index _enumeration_default.value @@ -1769,6 +1807,8 @@ save_hi_ang_fox_c0 save_hi_ang_fox_c1 + _units.code angstroms + loop_ _enumeration_default.index _enumeration_default.value @@ -1819,6 +1859,8 @@ save_hi_ang_fox_c1 save_hi_ang_fox_c2 + _units.code angstrom_squared + loop_ _enumeration_default.index _enumeration_default.value @@ -1869,6 +1911,8 @@ save_hi_ang_fox_c2 save_hi_ang_fox_c3 + _units.code angstrom_cubed + loop_ _enumeration_default.index _enumeration_default.value