MMTF-C++
The C++ language MMTF libraries
mmtf::BondAdder Class Reference

Helper class for adding bonds to a group-redundant system. More...

#include <export_helpers.hpp>

Public Member Functions

 BondAdder (StructureData &data)
 
bool operator() (int32_t atom1, int32_t atom2, int8_t order)
 Add one bond. More...
 

Detailed Description

Helper class for adding bonds to a group-redundant system.

Precondition
Atoms already exist in the system
groupTypeList has no duplicates (otherwise adding an inter-residue bond will add it to all residues with the same group type)

Constructor & Destructor Documentation

◆ BondAdder()

mmtf::BondAdder::BondAdder ( StructureData data)
inline
Parameters
[in,out]dataConsistent system with atoms
Exceptions
mmtf::EncodeErrorif groupTypeList has duplicates

Member Function Documentation

◆ operator()()

bool mmtf::BondAdder::operator() ( int32_t  atom1,
int32_t  atom2,
int8_t  order 
)
inline

Add one bond.

Parameters
[in]atom1Atom index 1 (zero-based)
[in]atom2Atom index 2 (zero-based)
[in]orderBond order
Returns
False if atom indices out of bounds

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