CarboxyEsterFeature

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Class Summary

class CarboxyEsterFeature
: public UserDefFeature
{

public:

	// Constructors
	CarboxyEsterFeature(const unsigned int id, const Mol2Atom& atom, CARBOXY_ESTER_TYPE carboxyEsterType) ;
protected:
float	getScoreVirtual(const Feature* otherFeature) const;
CARBOXY_ESTER_TYPE	carboxyEsterType_;

}; // CarboxyEsterFeature

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KEYWORD

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AUTHORS

Oranit Dror (mailto: oranit@post.tau.ac.il)

Copyright: SAMBA group, Tel-Aviv Univ. Israel, 2004.

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CHANGES LOG

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GOALS

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USAGE

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CarboxyEsterFeature(const unsigned int id, const Mol2Atom& atom, CARBOXY_ESTER_TYPE carboxyEsterType) ;

  CarboxyEsterFeature(const unsigned int id, const Mol2Atom& atom, CARBOXY_ESTER_TYPE carboxyEsterType) ;

Function is currently defined inline.

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float getScoreVirtual(const Feature* otherFeature) const;

  virtual float getScoreVirtual(const Feature* otherFeature) const;

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CARBOXY_ESTER_TYPE carboxyEsterType_;

  CARBOXY_ESTER_TYPE carboxyEsterType_;

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All Members

public:

	// Inspectors
FEATURE_TYPE	featureType() const ;
char*	getFeatureTypeString() const ;
unsigned int	getID() const ;
unsigned int	getRigidGroupID() const ;
const vector< unsigned int>&	getAllRigidGroups() const ;
const Vector3&	getCenter() const ;
float	getScore(const Feature* otherFeature) const ;
bool	isValid() ;
float	weight() const ;
void	getAtoms(vector< const Mol2Atom*>& atoms) const;	// pure virtual
float	getRadiusForCenterFit() const ;
float	getRadiusForCenterFit(const Feature* otherFeature) const ;
bool	canBeMatched(const RigidTrans3& transformation, const Feature* otherFeature) const;	// pure virtual
bool	operator==(const Feature& otherFeature) const;	// pure virtual

	// Setters
void	setCenter(const Vector3& center) ;
void	addRigidGroup(unsigned int groupID) ;
void	setValidity(bool valid) ;
void	setWeight(float w) ;
void	setRadiusForCenterFit(float r) ;

	// Misc.
void	resetValidityAndWeight() ;

	// Output
void	dump(ostream& output) const;	// pure virtual
void	outputMol2(ostream& output) const;	// pure virtual
void	outputMol2(const RigidTrans3& transformation, ostream& output) const;	// pure virtual
friend ostream&	operator<<(ostream& s, const Feature& feature) ;

	// Inspectors
USER_FEATURE_TYPE	getUserFeatureType() const ;

	// Misc.
void	getAtoms(vector< const Mol2Atom*>& atoms) const ;
static bool	isUserDefFeature(const Feature* feature) ;

	// Output
void	dump(ostream& output) const ;
void	outputMol2(ostream& output) const ;
void	outputMol2(const RigidTrans3& transformation, ostream& output) const ;
friend ostream&	operator<<(ostream& s, const UserDefFeature& userDefFeature) ;
protected:
float	getScoreVirtual(const Feature* otherFeature) const;	// pure virtual
unsigned int	id;
vector< unsigned int>	rigidGroups;
Vector3	center_;
bool	isValidFeature_;
FEATURE_TYPE	type_;
float	weight_;
float	radiusForCenterFit_;
const Mol2Atom&	userDefAtom_;
USER_FEATURE_TYPE	userFeatureType_;
void	outputMol2(ostream& output, const Vector3& center) const;
CARBOXY_ESTER_TYPE	carboxyEsterType_;

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Ancestors

Inheritance chain for CarboxyEsterFeature:

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Descendants

Class is not inherited by any others.

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