bonding_utilities.c File Reference

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Functions
void	follow_molecule_atom_molbonds_for_contree (molecule *m, molindex mi)
int	set_connection_tree_molecule_atoms (molecule *m)

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Function Documentation

void follow_molecule_atom_molbonds_for_contree	(	molecule *	m,
		molindex	mi
	)

The purpose of this function is to follow atoms recursively through atom-level bonding until all are seen.

Definition at line 40 of file bonding_utilities.c.

References molindex::a, residue::a, molecule::a, molecule::aT, ensindex::i, atom_node::i, molindex::m, atom::mb, atom::moli, atom::mTi, mywhine(), atom::nmb, molindex::r, molecule::r, and molbond::t.

Referenced by set_connection_tree_molecule_atoms().

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int set_connection_tree_molecule_atoms

(

molecule *

m

)

The purpose of this function is to set the connection tree within a molecule that is based on atom-level bonding.

The molecule can be alone or part of an assembly/ensemble.

Definition at line 90 of file bonding_utilities.c.

References molindex::a, residue::a, molecule::aT, follow_molecule_atom_molbonds_for_contree(), atom_node::i, molindex::m, atom::moli, atom::mTi, mywhine(), residue::na, atom_node::ni, atom_node::no, molecule::nr, molindex::r, and molecule::r.

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