IMP  2.0.1
The Integrative Modeling Platform
IMP::atom::CHARMMResidueTopologyBase Class Reference

Base class for all CHARMM residue-based topology.

#include <IMP/atom/charmm_topology.h>

+ Inheritance diagram for IMP::atom::CHARMMResidueTopologyBase:

Public Member Functions

void add_angle (const CHARMMAngle &bond)
 
void add_atom (const CHARMMAtomTopology &atom)
 
void add_bond (const CHARMMBond &bond)
 
void add_dihedral (const CHARMMDihedral &bond)
 
void add_improper (const CHARMMDihedral &bond)
 
void add_internal_coordinate (const CHARMMInternalCoordinate &ic)
 
virtual void do_show (std::ostream &out) const
 
const CHARMMAngleget_angle (unsigned int index) const
 
const CHARMMAtomTopologyget_atom (unsigned int i) const
 
const CHARMMAtomTopologyget_atom (AtomType type) const
 
const CHARMMAtomTopologyget_atom (std::string name) const
 
const CHARMMBondget_bond (unsigned int index) const
 
const CHARMMDihedralget_dihedral (unsigned int index) const
 
const CHARMMDihedralget_improper (unsigned int index) const
 
const CHARMMInternalCoordinateget_internal_coordinate (unsigned int index) const
 
unsigned int get_number_of_angles () const
 
unsigned int get_number_of_atoms () const
 
unsigned int get_number_of_bonds () const
 
unsigned int get_number_of_dihedrals () const
 
unsigned int get_number_of_impropers () const
 
unsigned int get_number_of_internal_coordinates () const
 
std::string get_type () const
 
- Public Member Functions inherited from IMP::base::Object
virtual void clear_caches ()
 
virtual IMP::base::VersionInfo get_version_info () const =0
 Get information about the module and version of the object.
 
void set_check_level (CheckLevel l)
 
void set_log_level (LogLevel l)
 Set the logging level used in this object. More...
 
void set_was_used (bool tf) const
 
void show (std::ostream &out=std::cout) const
 
const std::string & get_name () const
 
void set_name (std::string name)
 

Protected Member Functions

 CHARMMResidueTopologyBase (std::string type)
 
- Protected Member Functions inherited from IMP::base::Object
 Object (std::string name)
 Construct an object with the given name. More...
 

Protected Attributes

CHARMMAngles angles_
 
base::Vector< CHARMMAtomTopologyatoms_
 
CHARMMBonds bonds_
 
CHARMMDihedrals dihedrals_
 
CHARMMDihedrals impropers_
 
CHARMMInternalCoordinates internal_coordinates_
 

Related Functions

(Note that these are not member functions.)

typedef IMP::base::Vector
< IMP::base::WeakPointer
< CHARMMResidueTopologyBase > > 
CHARMMResidueTopologyBasesTemp
 

Detailed Description

Definition at line 234 of file charmm_topology.h.

Friends And Related Function Documentation

Pass a set of objects.

Definition at line 326 of file charmm_topology.h.


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