ResidueIndexedMolecule

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KEYWORD
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Class Summary

class ResidueIndexedMolecule
: public Molecule< AtomT>
{
public:
ResidueIndexedMolecule() ;
bool isInitialized() const ;
void resetResEntries();
int residueEntry(char chainId, string resSequenceID ) const ;
int getFirstAtomEntryForResEntry(unsigned int entry) const ;
int getFirstAtomEntryForResIndex(char chainId, string resSequenceID) const ;
int atomEntryToResEntry(unsigned int entry) const ;
unsigned int numberOfRes() const ;
protected:
}; // ResidueIndexedMolecule

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KEYWORD

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AUTHORS

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CHANGES LOG

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GOALS

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USAGE

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ResidueIndexedMolecule() ;

 ResidueIndexedMolecule() ;

Function is currently defined inline.


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bool isInitialized() const ;

check if the mapping is initialized 

  bool isInitialized() const                          
;

Function is currently defined inline.


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void resetResEntries();

clear and init 

  void resetResEntries();

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int residueEntry(char chainId, string resSequenceID ) const ;

  int residueEntry(char chainId, string resSequenceID ) const                                                                                                                                                                                                                        ;

Function is currently defined inline.


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int getFirstAtomEntryForResEntry(unsigned int entry) const ;

  int getFirstAtomEntryForResEntry(unsigned int entry)  const                                                                                                                                                                                                                              ;

Function is currently defined inline.


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int getFirstAtomEntryForResIndex(char chainId, string resSequenceID) const ;

  int getFirstAtomEntryForResIndex(char chainId, string resSequenceID)  const                                                                                       
;

Function is currently defined inline.


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int atomEntryToResEntry(unsigned int entry) const ;

mapping from atom entry (=index in array) to residue entry (=index in array) 

  int atomEntryToResEntry(unsigned int entry) const                                                                                                                                                                                                                                                                                                     
;

Function is currently defined inline.


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unsigned int numberOfRes() const ;

  unsigned int numberOfRes() const                                                                                                                                                                                                                           
;

Function is currently defined inline.


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All Members

public:
bool isInitialized() const ;
void resetResEntries();
int residueEntry(char chainId, string resSequenceID ) const ;
int getFirstAtomEntryForResEntry(unsigned int entry) const ;
int getFirstAtomEntryForResIndex(char chainId, string resSequenceID) const ;
int atomEntryToResEntry(unsigned int entry) const ;
unsigned int numberOfRes() const ;
protected:

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Ancestors

Inheritance chain for ResidueIndexedMolecule:

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Descendants

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