INDEX_UTILS

Functions
ensindex	copy_moli_to_ensi (molindex moli)
char	is_consistent_ensi_moli (ensindex ensi, molindex moli)
char	is_consistent_moli_moli (molindex mone, molindex mtwo)
char	is_consistent_molbond_molbond (molbond mb1, molbond mb2)
char	is_consistent_molbond_molbond_inverse (molbond mb1, molbond mb2)
char	is_consistent_ensi_ensi (ensindex eone, ensindex etwo)
void	set_ensemble_molindexes (ensemble *E)
void	set_assembly_molindexes (assembly *A)
void	set_molecule_molindexes (molecule *m, int mi)
void	set_residue_molindexes (residue *r, int mi, int ri)
molindex_set	find_residue_atoms_by_N (residue *r, const char *name)
molindex_set	find_molecule_atoms_by_N (molecule *m, const char *name)
molindex_set	find_molecule_residues_by_N (molecule *m, const char *name)
molindex_set	find_assembly_top_level_atoms_by_N (assembly *a, const char *name)
molindex_set	find_residue_atoms_by_n (residue *r, int number)
molindex_set	find_molecule_atoms_by_n (molecule *m, int number)
molindex_set	find_molecule_residues_by_n (molecule *m, int number)
molindex_set	find_assembly_top_level_atoms_by_n (assembly *a, int number)

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Function Documentation

ensindex copy_moli_to_ensi

(

molindex

moli

)

Definition at line 9 of file index_utilities.c.

References molindex::a, ensindex::A, ensindex::a, ensindex::E, molindex::i, ensindex::i, molindex::m, ensindex::m, molindex::r, and ensindex::r.

Referenced by follow_molecule_atom_nodes_from_bonds(), follow_residue_atom_nodes_from_bonds(), set_molecule_atom_nodes_from_bonds(), set_molecule_residue_nodes_from_bonds(), and set_residue_atom_nodes_from_bonds().

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molindex_set find_assembly_top_level_atoms_by_N	(	assembly *	a,
		const char *	name
	)

searches for a.N, saves i in A.a[i] to moli.i

Definition at line 53 of file location_utilities.c.

References mywhine().

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molindex_set find_assembly_top_level_atoms_by_n	(	assembly *	a,
		int	number
	)

searches for a.n, saves i in A.a[i] to moli.i

Definition at line 80 of file location_utilities.c.

References assembly::a, molindex::i, atom::moli, assembly::na, molindex_set::nP, and molindex_set::P.

Referenced by set_assembly_atom_molbonds_from_PDB_CONECT().

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molindex_set find_molecule_atoms_by_N	(	molecule *	m,
		const char *	name
	)

searches for a.N

Definition at line 41 of file location_utilities.c.

References mywhine().

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molindex_set find_molecule_atoms_by_n	(	molecule *	m,
		int	number
	)

searches for a.n

Definition at line 68 of file location_utilities.c.

References mywhine().

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molindex_set find_molecule_residues_by_N	(	molecule *	m,
		const char *	name
	)

searches for r.N

Definition at line 47 of file location_utilities.c.

References mywhine().

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molindex_set find_molecule_residues_by_n	(	molecule *	m,
		int	number
	)

searches for r.n

Definition at line 74 of file location_utilities.c.

References mywhine().

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molindex_set find_residue_atoms_by_N	(	residue *	r,
		const char *	name
	)

searches for a.N

Definition at line 12 of file location_utilities.c.

References residue::a, atom::moli, residue::na, molindex_set::nP, and molindex_set::P.

molindex_set find_residue_atoms_by_n	(	residue *	r,
		int	number
	)

searches for a.n

Definition at line 62 of file location_utilities.c.

References mywhine().

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char is_consistent_ensi_ensi	(	ensindex	eone,
		ensindex	etwo
	)

Definition at line 28 of file index_utilities.c.

References ensindex::A, ensindex::a, ensindex::E, ensindex::i, ensindex::m, and ensindex::r.

Referenced by set_molecule_atom_nodes_from_bonds(), set_molecule_residue_nodes_from_bonds(), and set_residue_atom_nodes_from_bonds().

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char is_consistent_ensi_moli	(	ensindex	ensi,
		molindex	moli
	)

Definition at line 85 of file index_utilities.c.

References molindex::a, ensindex::a, molindex::i, ensindex::i, molindex::m, ensindex::m, molindex::r, and ensindex::r.

Referenced by follow_molecule_atom_nodes_from_bonds(), and follow_residue_atom_nodes_from_bonds().

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char is_consistent_molbond_molbond	(	molbond	mb1,
		molbond	mb2
	)

Definition at line 40 of file index_utilities.c.

References molbond::i, is_consistent_moli_moli(), molbond::o, molbond::s, molbond::t, and molbond::typ.

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char is_consistent_molbond_molbond_inverse	(	molbond	mb1,
		molbond	mb2
	)

Definition at line 61 of file index_utilities.c.

References molbond::i, is_consistent_moli_moli(), molbond::o, molbond::s, molbond::t, and molbond::typ.

Referenced by follow_molecule_residue_nodes_from_bonds().

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char is_consistent_moli_moli	(	molindex	mone,
		molindex	mtwo
	)

Definition at line 19 of file index_utilities.c.

References molindex::a, molindex::i, molindex::m, and molindex::r.

Referenced by is_consistent_molbond_molbond(), and is_consistent_molbond_molbond_inverse().

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void set_assembly_molindexes

(

assembly *

A

)

Definition at line 115 of file index_utilities.c.

References assembly::nm, and set_molecule_molindexes().

Referenced by load_amber_prmtop(), and load_pdb().

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void set_ensemble_molindexes

(

ensemble *

E

)

Definition at line 122 of file index_utilities.c.

References ensemble::nm, and set_molecule_molindexes().

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void set_molecule_molindexes	(	molecule *	m,
		int	mi
	)

Definition at line 107 of file index_utilities.c.

References molecule::mi, molecule::nr, and set_residue_molindexes().

Referenced by set_assembly_molindexes(), and set_ensemble_molindexes().

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void set_residue_molindexes	(	residue *	r,
		int	mi,
		int	ri
	)

Definition at line 93 of file index_utilities.c.

References molindex::a, residue::a, molindex::i, molindex::m, atom::moli, residue::moli, residue::na, and molindex::r.

Referenced by set_molecule_molindexes().

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