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Remove units from cif_core.dic in favour of those in templ_enum.cif.
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@vaitkus
vaitkus committed Jun 28, 2023
1 parent adc220d commit dc9e698
Showing 1 changed file with 21 additions and 44 deletions.
65 changes: 21 additions & 44 deletions cif_core.dic
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Original file line number Diff line number Diff line change
Expand Up @@ -23929,10 +23929,8 @@ save_atom_type.atomic_mass
_type.container Single
_type.contents Real
_enumeration.def_index_id '_atom_type.symbol'
_units.code dalton

_import.get
[{'dupl':replace 'file':templ_enum.cif 'save':atomic_mass}]
_import.get [{'file':templ_enum.cif 'save':atomic_mass}]

save_

Expand All @@ -23952,10 +23950,9 @@ save_atom_type.atomic_number
_type.contents Integer
_enumeration.range 1:
_enumeration.def_index_id '_atom_type.element_symbol'
_units.code none

_import.get
[{'dupl':replace 'file':templ_enum.cif 'save':atomic_number}]
[{'file':templ_enum.cif 'save':atomic_number}]

save_

Expand Down Expand Up @@ -24026,10 +24023,9 @@ save_atom_type.electron_count
_type.contents Integer
_enumeration.range 1:
_enumeration.def_index_id '_atom_type.symbol'
_units.code none

_import.get
[{'dupl':replace 'file':templ_enum.cif 'save':electron_count}]
[{'file':templ_enum.cif 'save':electron_count}]

save_

Expand Down Expand Up @@ -24176,10 +24172,8 @@ 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
[{'dupl':replace 'file':templ_enum.cif 'save':radius_bond}]
_import.get [{'file':templ_enum.cif 'save':radius_bond}]

save_

Expand Down Expand Up @@ -24265,12 +24259,11 @@ save_atom_type_scat.cromer_mann_a1

_name.category_id atom_type_scat
_name.object_id Cromer_Mann_a1
_units.code none

_import.get
[
{'file':templ_attr.cif 'save':cromer_mann_coeff}
{'dupl':replace 'file':templ_enum.cif 'save':cromer_mann_a1}
{'file':templ_enum.cif 'save':cromer_mann_a1}
]

save_
Expand All @@ -24286,12 +24279,11 @@ save_atom_type_scat.cromer_mann_a2

_name.category_id atom_type_scat
_name.object_id Cromer_Mann_a2
_units.code none

_import.get
[
{'file':templ_attr.cif 'save':cromer_mann_coeff}
{'dupl':replace 'file':templ_enum.cif 'save':cromer_mann_a2}
{'file':templ_enum.cif 'save':cromer_mann_a2}
]

save_
Expand All @@ -24307,12 +24299,11 @@ save_atom_type_scat.cromer_mann_a3

_name.category_id atom_type_scat
_name.object_id Cromer_Mann_a3
_units.code none

_import.get
[
{'file':templ_attr.cif 'save':cromer_mann_coeff}
{'dupl':replace 'file':templ_enum.cif 'save':cromer_mann_a3}
{'file':templ_enum.cif 'save':cromer_mann_a3}
]

save_
Expand All @@ -24328,12 +24319,11 @@ save_atom_type_scat.cromer_mann_a4

_name.category_id atom_type_scat
_name.object_id Cromer_Mann_a4
_units.code none

_import.get
[
{'file':templ_attr.cif 'save':cromer_mann_coeff}
{'dupl':replace 'file':templ_enum.cif 'save':cromer_mann_a4}
{'file':templ_enum.cif 'save':cromer_mann_a4}
]

save_
Expand All @@ -24349,12 +24339,11 @@ 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
[
{'file':templ_attr.cif 'save':cromer_mann_coeff}
{'dupl':replace 'file':templ_enum.cif 'save':cromer_mann_b1}
{'file':templ_enum.cif 'save':cromer_mann_b1}
]

save_
Expand All @@ -24370,12 +24359,11 @@ 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
[
{'file':templ_attr.cif 'save':cromer_mann_coeff}
{'dupl':replace 'file':templ_enum.cif 'save':cromer_mann_b2}
{'file':templ_enum.cif 'save':cromer_mann_b2}
]

save_
Expand All @@ -24391,12 +24379,11 @@ 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
[
{'file':templ_attr.cif 'save':cromer_mann_coeff}
{'dupl':replace 'file':templ_enum.cif 'save':cromer_mann_b3}
{'file':templ_enum.cif 'save':cromer_mann_b3}
]

save_
Expand All @@ -24412,12 +24399,11 @@ 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
[
{'file':templ_attr.cif 'save':cromer_mann_coeff}
{'dupl':replace 'file':templ_enum.cif 'save':cromer_mann_b4}
{'file':templ_enum.cif 'save':cromer_mann_b4}
]

save_
Expand All @@ -24433,12 +24419,11 @@ save_atom_type_scat.cromer_mann_c

_name.category_id atom_type_scat
_name.object_id Cromer_Mann_c
_units.code none

_import.get
[
{'file':templ_attr.cif 'save':cromer_mann_coeff}
{'dupl':replace 'file':templ_enum.cif 'save':cromer_mann_c}
{'file':templ_enum.cif 'save':cromer_mann_c}
]

save_
Expand Down Expand Up @@ -24557,10 +24542,9 @@ 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
[{'dupl':replace 'file':templ_enum.cif 'save':dispersion_imag_cu}]
[{'file':templ_enum.cif 'save':dispersion_imag_cu}]

save_

Expand All @@ -24580,10 +24564,9 @@ 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
[{'dupl':replace 'file':templ_enum.cif 'save':dispersion_imag_mo}]
[{'file':templ_enum.cif 'save':dispersion_imag_mo}]

save_

Expand Down Expand Up @@ -24638,10 +24621,9 @@ 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
[{'dupl':replace 'file':templ_enum.cif 'save':dispersion_real_cu}]
[{'file':templ_enum.cif 'save':dispersion_real_cu}]

save_

Expand All @@ -24661,10 +24643,9 @@ 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
[{'dupl':replace 'file':templ_enum.cif 'save':dispersion_real_mo}]
[{'file':templ_enum.cif 'save':dispersion_real_mo}]

save_

Expand Down Expand Up @@ -24875,12 +24856,11 @@ 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
[
{'file':templ_attr.cif 'save':hi_ang_fox_coeffs}
{'dupl':replace 'file':templ_enum.cif 'save':hi_ang_fox_c0}
{'file':templ_enum.cif 'save':hi_ang_fox_c0}
]

save_
Expand All @@ -24890,12 +24870,11 @@ 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
[
{'file':templ_attr.cif 'save':hi_ang_fox_coeffs}
{'dupl':replace 'file':templ_enum.cif 'save':hi_ang_fox_c1}
{'file':templ_enum.cif 'save':hi_ang_fox_c1}
]

save_
Expand All @@ -24905,12 +24884,11 @@ 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
[
{'file':templ_attr.cif 'save':hi_ang_fox_coeffs}
{'dupl':replace 'file':templ_enum.cif 'save':hi_ang_fox_c2}
{'file':templ_enum.cif 'save':hi_ang_fox_c2}
]

save_
Expand All @@ -24920,12 +24898,11 @@ 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
[
{'file':templ_attr.cif 'save':hi_ang_fox_coeffs}
{'dupl':replace 'file':templ_enum.cif 'save':hi_ang_fox_c3}
{'file':templ_enum.cif 'save':hi_ang_fox_c3}
]

save_
Expand Down

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