#include <ccp4srs_bond.h>
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| Bond () |
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virtual | ~Bond () |
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int | atom1 () |
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int | atom2 () |
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int | order () |
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mmdb::realtype | length () |
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mmdb::realtype | length_esd () |
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int | readFromCIF_ccp4 (mmdb::mmcif::PLoop mmCIFLoop, int bondNo, Container< Atom > &atoms) |
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int | readFromCIF_rcsb (mmdb::mmcif::PLoop mmCIFLoop, int bondNo, Container< Atom > &atoms) |
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int | readFromCIF (mmdb::mmcif::PStruct mmCIFStruct, Container< Atom > &atoms) |
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void | writeToCIF (mmdb::mmcif::PLoop mmCIFLoop, mmdb::cpstr monID, Container< Atom > &atoms) |
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bool | compare (Container< Atom > &atoms, PBond bond, Container< Atom > &bond_atoms) |
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bool | copy (Container< Atom > &atoms, PBond bond, Container< Atom > &bond_atoms) |
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void | write_mem (PMemIO memIO, int version) |
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bool | read_mem (PMemIO memIO, int version, bool *Ok=NULL) |
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void | copy (PBond bond, mmdb::ivector anmatch=NULL) |
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Enumerator |
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noOrder |
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Single |
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Aromatic |
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Double |
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Triple |
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Deloc |
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Covalent |
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Metal |
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int ccp4srs::Bond::atom1 |
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inline |
int ccp4srs::Bond::atom2 |
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inline |
void ccp4srs::Bond::copy |
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PBond |
bond, |
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mmdb::ivector |
anmatch = NULL |
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) |
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mmdb::realtype ccp4srs::Bond::length |
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inline |
mmdb::realtype ccp4srs::Bond::length_esd |
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inline |
void ccp4srs::Bond::makeCIFTags |
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mmdb::mmcif::PLoop |
mmCIFLoop | ) |
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static |
int ccp4srs::Bond::order |
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inline |
bool ccp4srs::Bond::read_mem |
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PMemIO |
memIO, |
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int |
version, |
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bool * |
Ok = NULL |
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) |
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int ccp4srs::Bond::readFromCIF |
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mmdb::mmcif::PStruct |
mmCIFStruct, |
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Container< Atom > & |
atoms |
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) |
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int ccp4srs::Bond::readFromCIF_ccp4 |
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mmdb::mmcif::PLoop |
mmCIFLoop, |
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int |
bondNo, |
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Container< Atom > & |
atoms |
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) |
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int ccp4srs::Bond::readFromCIF_rcsb |
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mmdb::mmcif::PLoop |
mmCIFLoop, |
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int |
bondNo, |
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Container< Atom > & |
atoms |
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) |
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void ccp4srs::Bond::write_mem |
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PMemIO |
memIO, |
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int |
version |
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) |
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void ccp4srs::Bond::writeToCIF |
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mmdb::mmcif::PLoop |
mmCIFLoop, |
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mmdb::cpstr |
monID, |
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Container< Atom > & |
atoms |
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) |
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int ccp4srs::Bond::atom_1 |
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protected |
int ccp4srs::Bond::atom_2 |
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protected |
ordinal numbers of bonded atoms [0,1,.
]
mmdb::realtype ccp4srs::Bond::bond_length |
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protected |
bond length in A; set to 0.0 if not provided
mmdb::realtype ccp4srs::Bond::bond_length_esd |
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protected |
bond length esd in A; set to 0.0 if not provided
int ccp4srs::Bond::bond_order |
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protected |
The documentation for this class was generated from the following files: