MTK++ Latest version: 0.2.0

Public Member Functions | Static Public Member Functions | Public Attributes | Friends
MTKpp::clique Struct Reference

Container for clique info. More...

#include <mtkpp/src/Molecule/pharmacophore.h>

List of all members.

Public Member Functions

 clique ()
 pharmacophore Constructor
virtual ~clique ()
 pharmacophore Destructor
bool compare (clique *rhs)
 Compares two cliques.

Static Public Member Functions

static bool less (const clique *lhs, const clique *rhs)
 Compares two cliques based on score.
static bool greater (const clique *lhs, const clique *rhs)
 Compares two cliques based on score.

Public Attributes

double score
 score
double score2
 score
double dMax
 dMax
std::vector< vector3dcoords
 feature coordinates
std::vector< int > indicesA
 feature indices A
std::vector< int > indicesB
 feature indices B

Friends

bool operator== (clique &lhs, clique &rhs)
 Checks equality of two vectors.

Detailed Description

Container for clique info.


Constructor & Destructor Documentation

MTKpp::clique::clique ( )

pharmacophore Constructor

References dMax, and score.

MTKpp::clique::~clique ( ) [virtual]

pharmacophore Destructor


Member Function Documentation

static bool MTKpp::clique::less ( const clique lhs,
const clique rhs 
) [inline, static]

Compares two cliques based on score.

Parameters:
lhsfirst clique
rhsSecond clique
Returns:
boolean

After this function is defined the STL sort() function can be used

References score.

static bool MTKpp::clique::greater ( const clique lhs,
const clique rhs 
) [inline, static]

Compares two cliques based on score.

Parameters:
lhsfirst clique
rhsSecond clique
Returns:
boolean

After this function is defined the STL sort() function can be used

References score.

bool MTKpp::clique::compare ( clique rhs)

Compares two cliques.

Returns:
bool

References coords, and indicesA.


Friends And Related Function Documentation

bool operator== ( clique lhs,
clique rhs 
) [friend]

Checks equality of two vectors.

Parameters:
lhsLeft hand side vector3d object
rhsRight hand side vector3d object

Member Data Documentation

score

Referenced by MTKpp::pharmacophore::getCliques().

dMax

Referenced by clique().

feature coordinates

Referenced by compare(), and MTKpp::pharmacophore::getCliques().

std::vector<int> MTKpp::clique::indicesA

feature indices A

Referenced by compare(), and MTKpp::pharmacophore::getCliques().

std::vector<int> MTKpp::clique::indicesB

feature indices B

Referenced by MTKpp::pharmacophore::getCliques().


The documentation for this struct was generated from the following files:

Generated on Fri Dec 23 2011 09:28:57 for MTK++ by Doxygen 1.7.5.1