IMP  2.4.0
The Integrative Modeling Platform
Public Member Functions | Protected Attributes | List of all members
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 94 of file charmm_topology.h.

Public Member Functions

 CHARMMConnection (const IMP::Strings &atoms)
 
 CHARMMConnection (base::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

base::Vector< CHARMMBondEndpointendpoints_
 

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 131 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 118 of file charmm_topology.h.


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