PROFASI  Version 1.5
Public Member Functions | List of all members
prf::DOF_Index Class Reference

Helper class for population for DOF management. More...

#include <DOF_Index.hh>

Public Member Functions

void reset ()
 Reset all previous info.
int init (std::vector< DOF_Info > &dofs)
 Initialize with respect to a DOF array.
int get_uid_from_chain_index (int ch, int chind)
 Get the unique id from chain and index in chain.
int get_uid_from_type_index (int tp, int tpind)
 Get the unique id from type and the global index within type.
int get_uid_from_chain_type (int ch, int tp, int chtpind)
 Get the unique id from chain, type and chain level index in type.
int get_uid_from_residue_type (int rs, int tp, int rstpind)
 Get the unique id from residue, type and residue level index in type.

Detailed Description

This class provides additional structure to the vector of degrees of freedom in the population, so that the unique id of a DOF can be querried about a partially known DOF_Info object. The DOF_Info class stores redundant information on degrees of freedom, so that a few combinations of its fields suffice to identify it uniquely. For instance, specifying the chain, the DOF type and the index of the DOF in its type is sufficient to uniquely identify it. The same DOF might also be found by specifying the chain, the residue, the type and the type specific index in the residue. When initialized the DOF_Index class creates a map of all complete descriptions of a DOF on to its unique id.

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

PROFASI: Protein Folding and Aggregation Simulator, Version 1.5
© (2005-2016) Anders Irbäck and Sandipan Mohanty
Documentation generated on Mon Jul 18 2016 using Doxygen version 1.8.2