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.

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]

data

Consistent system with atoms

Exceptions

mmtf::EncodeError

if 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]	atom1	Atom index 1 (zero-based)
[in]	atom2	Atom index 2 (zero-based)
[in]	order	Bond order

Returns

False if atom indices out of bounds

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

• /home/abuild/rpmbuild/BUILD/mmtf-cpp-1.1.0/include/mmtf/export_helpers.hpp