here reside functions that implement a glue between application or paper
(main.py or paper.py) and the dialogs (dialogs.py)
Functions
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ask_display_form_for_selected
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ask_display_form_for_selected ( paper )
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ask_id_for_selected
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ask_id_for_selected ( paper )
opens dialog for input of molecule ID and sets it
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ask_inchi_program_path
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ask_inchi_program_path ()
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ask_name_for_selected
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ask_name_for_selected ( paper )
opens dialog for input of molecule name and sets it
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atoms_to_linear_fragment
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atoms_to_linear_fragment (
mol,
vs,
bond_length=10,
)
Exceptions
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ValueError, "the vertices do not define connected subgraph"
excs.bkchem_graph_error("circular_selection", _( "The selected part of a molecule is a whole ring, there is no way to linearize it" ) )
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check_validity
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check_validity ( mols )
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compute_oxidation_number
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compute_oxidation_number ( paper )
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convert_selected_to_linear_fragment
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convert_selected_to_linear_fragment ( paper )
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create_fragment_from_selected
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create_fragment_from_selected ( paper )
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log_atom_type
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log_atom_type ( vtype )
according to vtype tells the user how an atom text was interpreted
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save_as_template
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save_as_template ( paper )
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select_language
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select_language ( paper )
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set_atom_number
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set_atom_number ( atoms )
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view_fragments
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view_fragments ( paper )
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