AtomMolecule

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KEYWORD
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Class Summary

class AtomMolecule
: public FMolecule< Atom>
{
public:
static float st_fThr;
AtomMolecule(const string& filename);
AtomMolecule(const string& filename,const FMolecule< Atom>&);
explicit AtomMolecule() ;
string getFileName()const ;
string getDesc()const ;
string getMolType()const ;
Vector3 getRefPoint(int i) ;
bool equalTrans(const RigidTrans3&,const RigidTrans3&);
bool matched(const Vector3& u1, const Vector3& u2, const Vector3& u3, const RigidTrans3& trans, const Vector3& v1, const Vector3& v2, const Vector3& v3);
int removeSpuriousHelices(int i_ilength);
protected:
}; // AtomMolecule

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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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float st_fThr;

  static float st_fThr;

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AtomMolecule(const string& filename);

  AtomMolecule(const string& filename);

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AtomMolecule(const string& filename,const FMolecule< Atom>&);

  AtomMolecule(const string& filename,const FMolecule< Atom>&);

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explicit AtomMolecule() ;

  explicit AtomMolecule()  
;

Function is currently defined inline.


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string getFileName()const ;

  string getFileName()const                     
;

Function is currently defined inline.


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string getDesc()const ;

  string getDesc()const                     
;

Function is currently defined inline.


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string getMolType()const ;

  string getMolType()const                     
;

Function is currently defined inline.


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Vector3 getRefPoint(int i) ;

  Vector3 getRefPoint(int i)                         
;

Function is currently defined inline.


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bool equalTrans(const RigidTrans3&,const RigidTrans3&);

  bool equalTrans(const RigidTrans3&,const RigidTrans3&);

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bool matched(const Vector3& u1, const Vector3& u2, const Vector3& u3, const RigidTrans3& trans, const Vector3& v1, const Vector3& v2, const Vector3& v3);

  bool matched(const Vector3& u1,
	       const Vector3& u2,
	       const Vector3& u3,
	       const RigidTrans3& trans,
	       const Vector3& v1,
	       const Vector3& v2,
	       const Vector3& v3);

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int removeSpuriousHelices(int i_ilength);

removes helices that are less than param length 

  int removeSpuriousHelices(int i_ilength);

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All Members

public:
// Adding Particles.
int readPDBfile(istream& PDBstream, const PDB::Selector& selector ));
class Selector ;
class CaSelector ;
void add(const ParticleT& p);
int select (const Selector& selector);
// Inspection.
Vector3 operator()(unsigned int particle) const ;
Vector3 centroid() const;
// Operators.
void transform(const Matrix3& lt);
void translate(const Vector3& move);
void rigidTrans(const RigidTrans3& rt);
void concat(FMolecule& m);
FMolecule splitOnIndex(const int i);
FMolecule& operator+=(const Vector3& v);
FMolecule& operator*=(const Matrix3& lt);
FMolecule& operator*=(const RigidTrans3& rt);
FMolecule& operator=(const FMolecule& m);
template<class ParticleTT> friend ostream& operator<<(ostream& s, const FMolecule<ParticleTT>& m);
static float st_fThr;
explicit AtomMolecule() ;
string getFileName()const ;
string getDesc()const ;
string getMolType()const ;
Vector3 getRefPoint(int i) ;
bool equalTrans(const RigidTrans3&,const RigidTrans3&);
bool matched(const Vector3& u1, const Vector3& u2, const Vector3& u3, const RigidTrans3& trans, const Vector3& v1, const Vector3& v2, const Vector3& v3);
int removeSpuriousHelices(int i_ilength);
protected:

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Ancestors

Inheritance chain for AtomMolecule:

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Descendants

Class is not inherited by any others.

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Generated from source by the Cocoon utilities on Tue Jan 5 18:47:29 2010 .

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