Chemical Data Processing Library Python API - Version 1.2.0
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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) | |
None CDPL.Util.DG3DCoordinatesGenerator.__init__ | ( | DG3DCoordinatesGenerator | gen | ) |
Initializes a copy of the DG3DCoordinatesGenerator instance gen.
gen | The DG3DCoordinatesGenerator instance to copy. |
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()
.
DG3DCoordinatesGenerator CDPL.Util.DG3DCoordinatesGenerator.assign | ( | DG3DCoordinatesGenerator | gen | ) |
Replaces the current state of self with a copy of the state of the DG3DCoordinatesGenerator instance gen.
gen | The DG3DCoordinatesGenerator instance to copy. |
int CDPL.Util.DG3DCoordinatesGenerator.getNumDistanceConstraints | ( | ) |
DistanceConstraint CDPL.Util.DG3DCoordinatesGenerator.getDistanceConstraint | ( | int | idx | ) |
idx |
None CDPL.Util.DG3DCoordinatesGenerator.addDistanceConstraint | ( | int | pt1_idx, |
int | pt2_idx, | ||
float | lb, | ||
float | ub | ||
) |
pt1_idx | |
pt2_idx | |
lb | |
ub |
None CDPL.Util.DG3DCoordinatesGenerator.removeDistanceConstraint | ( | int | idx | ) |
idx |
None CDPL.Util.DG3DCoordinatesGenerator.setNumCycles | ( | int | num_cycles | ) |
num_cycles |
int CDPL.Util.DG3DCoordinatesGenerator.getNumCycles | ( | ) |
None CDPL.Util.DG3DCoordinatesGenerator.setCycleStepCountFactor | ( | float | fact | ) |
fact |
float CDPL.Util.DG3DCoordinatesGenerator.getCycleStepCountFactor | ( | ) |
None CDPL.Util.DG3DCoordinatesGenerator.setStartLearningRate | ( | float | rate | ) |
rate |
float CDPL.Util.DG3DCoordinatesGenerator.getStartLearningRate | ( | ) |
None CDPL.Util.DG3DCoordinatesGenerator.setLearningRateDecrement | ( | float | decr | ) |
decr |
float CDPL.Util.DG3DCoordinatesGenerator.getLearningRateDecrement | ( | ) |
None CDPL.Util.DG3DCoordinatesGenerator.setRandomSeed | ( | int | seed | ) |
seed |
None CDPL.Util.DG3DCoordinatesGenerator.generate | ( | int | num_points, |
Math.Vector3DArray | coords | ||
) |
num_points | |
coords |
float CDPL.Util.DG3DCoordinatesGenerator.getDistanceError | ( | Math.Vector3DArray | coords | ) |
coords |
DistanceConstraintList CDPL.Util.DG3DCoordinatesGenerator.getDistanceConstraints | ( | ) |
int CDPL.Util.DG3DCoordinatesGenerator.getNumVolumeConstraints | ( | ) |
VolumeConstraint CDPL.Util.DG3DCoordinatesGenerator.getVolumeConstraint | ( | int | idx | ) |
idx |
None CDPL.Util.DG3DCoordinatesGenerator.addVolumeConstraint | ( | int | pt1_idx, |
int | pt2_idx, | ||
int | pt3_idx, | ||
int | pt4_idx, | ||
float | lb, | ||
float | ub | ||
) |
pt1_idx | |
pt2_idx | |
pt3_idx | |
pt4_idx | |
lb | |
ub |
None CDPL.Util.DG3DCoordinatesGenerator.removeVolumeConstraint | ( | int | idx | ) |
idx |
float CDPL.Util.DG3DCoordinatesGenerator.getVolumeError | ( | Math.Vector3DArray | coords | ) |
coords |
VolumeConstraintList CDPL.Util.DG3DCoordinatesGenerator.getVolumeConstraints | ( | ) |