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Fix formatting of one2tdb
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ricardonpa committed Apr 9, 2024
1 parent b824017 commit cc16cf6
Showing 1 changed file with 10 additions and 11 deletions.
21 changes: 10 additions & 11 deletions mhdb/core/database.py
Original file line number Diff line number Diff line change
Expand Up @@ -212,21 +212,20 @@ def many2one(elements:list,data_collection:list):

def one2tdb(data:list):
from_string = f'''\
{"" if any('ELECTRON_GAS' in element for element in data['elements']) else "ELEMENT /- ELECTRON_GAS 0.0000E+00 0.0000E+00 0.0000E+00!\n"}\
{"" if any('VACUUM' in element for element in data['elements']) else "ELEMENT VA VACUUM 0.0000E+00 0.0000E+00 0.0000E+00!\n"}\
{'\n'.join(data['elements'])}
{"" if any('ELECTRON_GAS' in element for element in data['elements']) else "ELEMENT /- ELECTRON_GAS 0.0000E+00 0.0000E+00 0.0000E+00!\n"}\
{"" if any('VACUUM' in element for element in data['elements']) else "ELEMENT VA VACUUM 0.0000E+00 0.0000E+00 0.0000E+00!\n"}\
{'\n'.join(data['elements'])}
{'\n'.join(data['species'])}
{'\n'.join(data['species'])}
{'\n'.join(data['symbols'])}
{'\n'.join(data['symbols'])}
TYPE_DEFINITION % SEQ *!
DEFINE_SYSTEM_DEFAULT ELEMENT 2 !
DEFAULT_COMMAND DEF_SYS_ELEMENT VA /- !
TYPE_DEFINITION % SEQ *!
DEFINE_SYSTEM_DEFAULT ELEMENT 2 !
DEFAULT_COMMAND DEF_SYS_ELEMENT VA /- !
{'\n'.join(data['phases']).replace("! CONSTITUENT", "!\n CONSTITUENT").replace("! TYPE_DEFINITION", "!\n TYPE_DEFINITION")}
{'\n'.join(data['phases']).replace("! CONSTITUENT", "!\n CONSTITUENT").replace("! TYPE_DEFINITION", "!\n TYPE_DEFINITION")}
{'\n'.join(data['parameters'])}
{'\n'.join(data['parameters'])}
'''
return from_string

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