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

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Detailed Description

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

A bond, angle, dihedral or improper between some number of endpoints.

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

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Public Member Functions
	CHARMMBond (std::vector< CHARMMBondEndpoint > endpoints)
	CHARMMBond (std::vector< std::string > atoms)
bool	contains_atom (std::string name) const
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.
const CHARMMBondEndpoint &	get_endpoint (unsigned int i) const

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Member Function Documentation

template<unsigned int D>

bool IMP::atom::CHARMMBond< D >::contains_atom

(

std::string

name

)

const

Returns:

true if the bond contains the named atom.

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

• charmm_topology.h