bond Struct Reference

#include <structures.h>

List of all members.

Public Attributes
int32	atom1
int32	atom2
Index	bond_type

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Member Data Documentation

int32 bond::atom1

Definition at line 48 of file structures.h. Referenced by BondElem::BondElem(), Molecule::build_extra_bonds(), getAcceptorData(), getBondData(), getDonorData(), getExtraBonds(), Molecule::print_bonds(), and Molecule::read_parm().

int32 bond::atom2

Definition at line 49 of file structures.h. Referenced by BondElem::BondElem(), Molecule::build_extra_bonds(), dumpbench(), getAcceptorData(), getBondData(), getDonorData(), getExtraBonds(), Molecule::print_bonds(), and Molecule::read_parm().

Index bond::bond_type

Definition at line 50 of file structures.h. Referenced by Parameters::assign_bond_index(), BondElem::BondElem(), Molecule::build_extra_bonds(), dumpbench(), getBondData(), getExtraBonds(), Molecule::print_bonds(), and Molecule::read_parm().

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

• structures.h

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