IMP::atom::CHARMMConnection< D > Class Template Reference

A connection (bond, angle, dihedral) between some number of endpoints. More...

#include <IMP/atom/charmm_topology.h>

Inheritance diagram for IMP::atom::CHARMMConnection< D >:

Detailed Description

template<unsigned int D>
class IMP::atom::CHARMMConnection< D >

A connection (bond, angle, dihedral) between some number of endpoints.

Definition at line 103 of file charmm_topology.h.

Public Member Functions
	CHARMMConnection (const IMP::Strings &atoms)
	CHARMMConnection (Vector< CHARMMBondEndpoint > endpoints)
Atoms	get_atoms (const CHARMMResidueTopology *current_residue, const CHARMMResidueTopology *previous_residue, const CHARMMResidueTopology *next_residue, const std::map< const CHARMMResidueTopology *, Hierarchy > &resmap) const
	Map the bond to a list of Atom particles. More...
bool	get_contains_atom (std::string name) const
	Return true if the bond contains the named atom. More...
const IMP::atom::CHARMMBondEndpoint &	get_endpoint (unsigned int i) const
void	show (std::ostream &out=std::cout) const

Protected Attributes
Vector< CHARMMBondEndpoint >	endpoints_

Member Function Documentation

template<unsigned int D>

Atoms IMP::atom::CHARMMConnection< D >::get_atoms	(	const CHARMMResidueTopology *	current_residue,
		const CHARMMResidueTopology *	previous_residue,
		const CHARMMResidueTopology *	next_residue,
		const std::map< const CHARMMResidueTopology *, Hierarchy > &	resmap
	)		const

Map the bond to a list of Atom particles.

Definition at line 140 of file charmm_topology.h.

template<unsigned int D>

bool IMP::atom::CHARMMConnection< D >::get_contains_atom

(

std::string

name

)

const

Return true if the bond contains the named atom.

Definition at line 127 of file charmm_topology.h.

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The documentation for this class was generated from the following file:

• charmm_topology.h