Chemical Data Processing Library Python API - Version 1.1.1
Classes | Public Member Functions | Static Public Attributes | Properties | List of all members
CDPL.Util.DG3DCoordinatesGenerator Class Reference
+ Inheritance diagram for CDPL.Util.DG3DCoordinatesGenerator:

Classes

class  DistanceConstraint
 
class  DistanceConstraintList
 
class  VolumeConstraint
 
class  VolumeConstraintList
 

Public Member Functions

None __init__ ()
 Initializes the DG3DCoordinatesGenerator instance.
 
None __init__ (DG3DCoordinatesGenerator gen)
 Initializes a copy of the DG3DCoordinatesGenerator instance gen. More...
 
int getObjectID ()
 Returns the numeric identifier (ID) of the wrapped C++ class instance. More...
 
DG3DCoordinatesGenerator assign (DG3DCoordinatesGenerator gen)
 Replaces the current state of self with a copy of the state of the DG3DCoordinatesGenerator instance gen. More...
 
None clearDistanceConstraints ()
 
int getNumDistanceConstraints ()
 
DistanceConstraint getDistanceConstraint (int idx)
 
None addDistanceConstraint (int pt1_idx, int pt2_idx, float lb, float ub)
 
None removeDistanceConstraint (int idx)
 
None setNumCycles (int num_cycles)
 
int getNumCycles ()
 
None setCycleStepCountFactor (float fact)
 
float getCycleStepCountFactor ()
 
None setStartLearningRate (float rate)
 
float getStartLearningRate ()
 
None setLearningRateDecrement (float decr)
 
float getLearningRateDecrement ()
 
None setRandomSeed (int seed)
 
None generate (int num_points, Math.Vector3DArray coords)
 
float getDistanceError (Math.Vector3DArray coords)
 
DistanceConstraintList getDistanceConstraints ()
 
None clearVolumeConstraints ()
 
int getNumVolumeConstraints ()
 
VolumeConstraint getVolumeConstraint (int idx)
 
None addVolumeConstraint (int pt1_idx, int pt2_idx, int pt3_idx, int pt4_idx, float lb, float ub)
 
None removeVolumeConstraint (int idx)
 
float getVolumeError (Math.Vector3DArray coords)
 
VolumeConstraintList getVolumeConstraints ()
 

Static Public Attributes

int COORDS_DIM = 3
 
int DEF_NUM_CYCLES = 50
 
float DEF_CYCLE_STEP_COUNT_FACTOR = 1.0
 
float DEF_START_LEARNING_RATE = 1.0
 
float DEF_LEARNING_RATE_DECREMENT = 0.019
 

Properties

 objectID = property(getObjectID)
 
 numCycles = property(getNumCycles, setNumCycles)
 
 cycleStepCountFactor = property(getCycleStepCountFactor, setCycleStepCountFactor)
 
 startLearningRate = property(getStartLearningRate, setStartLearningRate)
 
 learningRateDecrement = property(getLearningRateDecrement, setLearningRateDecrement)
 
 numDistanceConstraints = property(getNumDistanceConstraints)
 
 distanceConstraints = property(getDistanceConstraints)
 
 numVolumeConstraints = property(getNumVolumeConstraints)
 
 volumeConstraints = property(getVolumeConstraints)
 

Constructor & Destructor Documentation

◆ __init__()

None CDPL.Util.DG3DCoordinatesGenerator.__init__ ( DG3DCoordinatesGenerator  gen)

Initializes a copy of the DG3DCoordinatesGenerator instance gen.

Parameters
genThe DG3DCoordinatesGenerator instance to copy.

Member Function Documentation

◆ getObjectID()

int CDPL.Util.DG3DCoordinatesGenerator.getObjectID ( )

Returns the numeric identifier (ID) of the wrapped C++ class instance.

Different Python DG3DCoordinatesGenerator instances may reference the same underlying C++ class instance. The commonly used Python expression a is not b thus cannot tell reliably whether the two DG3DCoordinatesGenerator instances a and b reference different C++ objects. The numeric identifier returned by this method allows to correctly implement such an identity test via the simple expression a.getObjectID() != b.getObjectID().

Returns
The numeric ID of the internally referenced C++ class instance.

◆ assign()

DG3DCoordinatesGenerator CDPL.Util.DG3DCoordinatesGenerator.assign ( DG3DCoordinatesGenerator  gen)

Replaces the current state of self with a copy of the state of the DG3DCoordinatesGenerator instance gen.

Parameters
genThe DG3DCoordinatesGenerator instance to copy.
Returns
self

◆ getNumDistanceConstraints()

int CDPL.Util.DG3DCoordinatesGenerator.getNumDistanceConstraints ( )
Returns

◆ getDistanceConstraint()

DistanceConstraint CDPL.Util.DG3DCoordinatesGenerator.getDistanceConstraint ( int  idx)
Parameters
idx
Returns

◆ addDistanceConstraint()

None CDPL.Util.DG3DCoordinatesGenerator.addDistanceConstraint ( int  pt1_idx,
int  pt2_idx,
float  lb,
float  ub 
)
Parameters
pt1_idx
pt2_idx
lb
ub

◆ removeDistanceConstraint()

None CDPL.Util.DG3DCoordinatesGenerator.removeDistanceConstraint ( int  idx)
Parameters
idx

◆ setNumCycles()

None CDPL.Util.DG3DCoordinatesGenerator.setNumCycles ( int  num_cycles)
Parameters
num_cycles

◆ getNumCycles()

int CDPL.Util.DG3DCoordinatesGenerator.getNumCycles ( )
Returns

◆ setCycleStepCountFactor()

None CDPL.Util.DG3DCoordinatesGenerator.setCycleStepCountFactor ( float  fact)
Parameters
fact

◆ getCycleStepCountFactor()

float CDPL.Util.DG3DCoordinatesGenerator.getCycleStepCountFactor ( )
Returns

◆ setStartLearningRate()

None CDPL.Util.DG3DCoordinatesGenerator.setStartLearningRate ( float  rate)
Parameters
rate

◆ getStartLearningRate()

float CDPL.Util.DG3DCoordinatesGenerator.getStartLearningRate ( )
Returns

◆ setLearningRateDecrement()

None CDPL.Util.DG3DCoordinatesGenerator.setLearningRateDecrement ( float  decr)
Parameters
decr

◆ getLearningRateDecrement()

float CDPL.Util.DG3DCoordinatesGenerator.getLearningRateDecrement ( )
Returns

◆ setRandomSeed()

None CDPL.Util.DG3DCoordinatesGenerator.setRandomSeed ( int  seed)
Parameters
seed

◆ generate()

None CDPL.Util.DG3DCoordinatesGenerator.generate ( int  num_points,
Math.Vector3DArray  coords 
)
Parameters
num_points
coords

◆ getDistanceError()

float CDPL.Util.DG3DCoordinatesGenerator.getDistanceError ( Math.Vector3DArray  coords)
Parameters
coords
Returns

◆ getDistanceConstraints()

DistanceConstraintList CDPL.Util.DG3DCoordinatesGenerator.getDistanceConstraints ( )
Returns

◆ getNumVolumeConstraints()

int CDPL.Util.DG3DCoordinatesGenerator.getNumVolumeConstraints ( )
Returns

◆ getVolumeConstraint()

VolumeConstraint CDPL.Util.DG3DCoordinatesGenerator.getVolumeConstraint ( int  idx)
Parameters
idx
Returns

◆ addVolumeConstraint()

None CDPL.Util.DG3DCoordinatesGenerator.addVolumeConstraint ( int  pt1_idx,
int  pt2_idx,
int  pt3_idx,
int  pt4_idx,
float  lb,
float  ub 
)
Parameters
pt1_idx
pt2_idx
pt3_idx
pt4_idx
lb
ub

◆ removeVolumeConstraint()

None CDPL.Util.DG3DCoordinatesGenerator.removeVolumeConstraint ( int  idx)
Parameters
idx

◆ getVolumeError()

float CDPL.Util.DG3DCoordinatesGenerator.getVolumeError ( Math.Vector3DArray  coords)
Parameters
coords
Returns

◆ getVolumeConstraints()

VolumeConstraintList CDPL.Util.DG3DCoordinatesGenerator.getVolumeConstraints ( )
Returns