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Use the species adjlist if given when saving it in RMG libs
1 parent f8fe2cc commit 0de8145

1 file changed

Lines changed: 2 additions & 2 deletions

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arc/plotter.py

Lines changed: 2 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -777,7 +777,7 @@ def save_thermo_lib(species_list: list,
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try:
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thermo_library.load_entry(index=i,
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label=spc.label,
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molecule=spc.mol_list[0].copy(deep=True).to_adjacency_list(),
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molecule=spc.adjlist or spc.mol_list[0].copy(deep=True).to_adjacency_list(),
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thermo=spc.thermo,
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shortDesc=spc.thermo.comment,
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longDesc=spc.long_thermo_description)
@@ -806,7 +806,7 @@ def save_transport_lib(species_list, path, name, lib_long_desc=''):
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try:
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transport_library.load_entry(index=i,
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label=spc.label,
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molecule=spc.mol_list[0].copy(deep=True).to_adjacency_list(),
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molecule=spc.adjlist or spc.mol_list[0].copy(deep=True).to_adjacency_list(),
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transport=spc.transport_data,
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shortDesc=spc.thermo.comment,
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longDesc=description)

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