mirror of
https://github.com/TREX-CoE/trexio.git
synced 2024-11-03 20:54:07 +01:00
77 lines
2.0 KiB
Python
77 lines
2.0 KiB
Python
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import json
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with open('trex.json', 'r') as f:
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config0 = json.load(f)
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print('Metadata I/O currently not supported')
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# TODO, for now remove metadata-related stuff
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del config0['metadata']
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config = {}
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for k,v in config0.items():
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if k == 'nucleus' or k == 'electron':
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config[k] = v
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print(config)
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groups = [group for group in config.keys()]
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dim_variables = {}
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dim_list = []
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for k1,v1 in config.items():
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for v2 in v1.values():
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for dim in v2[1]:
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if not dim.isdigit():
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tmp = dim.replace('.','_')
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dim_variables[tmp] = 0
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if dim not in dim_list:
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dim_list.append(dim)
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datasets = {}
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numbers = {}
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for k1,v1 in config.items():
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for k2,v2 in v1.items():
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if len(v2[1]) > 0:
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datasets[f'{k1}_{k2}'] = v2
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else:
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var_name = f'{k1}_{k2}'
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if var_name not in dim_variables.keys():
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numbers[var_name] = v2[0]
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print('Strings I/O currently not supported')
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# TODO, for now remove char-related stuff
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datasets_nostr = {}
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for k,v in datasets.items():
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if 'char' not in v[0]:
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datasets_nostr[k] = v
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#print(datasets_nostr)
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print(numbers)
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#print(attributes)
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#print(groups)
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file_list = ['temp_trexio_hdf5.c']
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path = 'src/templates'
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for fname in file_list:
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fname_new = fname.replace('temp_','')
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with open(f'{path}/{fname}', 'r') as f_in:
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with open(f'{path}/{fname_new}', 'w') as f_out:
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isfunc = False
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for line in f_in:
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if '$group$' in line and 'hdf5' in line:
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# probably a good function criterion
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isfunc = True
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if '$group$' in line or '$GROUP$' in line:
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for group_name in config.keys():
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templine = line.replace('$group$', f'{group_name}')
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newline = templine.replace('$GROUP$', f'{group_name.upper()}')
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f_out.write(newline)
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else:
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f_out.write(line)
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