ChemEntry

This is a class that keeps protein atom attributes: type, radius and charge

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Class Summary

class ChemEntry
{

public:

	// Inspectors
bool	isSameEntry(const string residueName, const string atomName) const;
float	getEntryRadius() const ;
float	getEntryCharge() const ;
int	getEntryChemType() const ;
friend istream&	operator>>(istream& s, ChemEntry& entry) ;
friend ostream&	operator<<(ostream& s, const ChemEntry& entry) ;
protected:

}; // ChemEntry

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KEYWORD

ChemEntry, ChemAtom radius, charge, type

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AUTHORS

Dina Schneidman (duhovka@tau.ac.il)

copyright: GAMBA Group , Tel-Aviv Univ. Israel, 2004.

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GOALS

ChemEntry keeps atom attribures that are not given in PDB file.

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CHANGES LOG

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USAGE

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bool isSameEntry(const string residueName, const string atomName) const;

  bool isSameEntry(const string residueName, const string atomName) const;

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float getEntryRadius() const ;

returns radius

  float getEntryRadius() const                    
;

Function is currently defined inline.

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float getEntryCharge() const ;

returns charge

  float getEntryCharge() const                    
;

Function is currently defined inline.

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int getEntryChemType() const ;

returns atom type

  int getEntryChemType() const                      
;

Function is currently defined inline.

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friend istream& operator>>(istream& s, ChemEntry& entry) ;

read entry

  friend istream& operator>>(istream& s, ChemEntry& entry)                                                                                                                  
;

Function is currently defined inline.

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friend ostream& operator<<(ostream& s, const ChemEntry& entry) ;

output entry

  friend ostream& operator<<(ostream& s, const ChemEntry& entry)                                                                                                                                                             
;

Function is currently defined inline.

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All Members

public:

	// Inspectors
bool	isSameEntry(const string residueName, const string atomName) const;
float	getEntryRadius() const ;
float	getEntryCharge() const ;
int	getEntryChemType() const ;
friend istream&	operator>>(istream& s, ChemEntry& entry) ;
friend ostream&	operator<<(ostream& s, const ChemEntry& entry) ;
protected:

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Ancestors

Class does not inherit from any other class.

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Descendants

Class is not inherited by any others.

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