def setMOLLYForceGroups(self):
"""
Initialize MOLLY force fields and energies.
"""
self.myMOLLYForcesBonded = ForceGroup()
self.myMOLLYForcesHBonded = ForceGroup()
self.myHBondForces = ForceGroup()
self.mollyEnergy = ScalarStructure.ScalarStructure()
def deepCopyForce(self, ff):
p = ff.params
if (ff.charmm):
ff2 = self.forces.makeForceField(self.phys, "charmm")
else:
ff2 = self.forces.makeForceField(self.phys)
for ii in ff.forcetypes:
ff2.forcetypes.append(ii)
ff2.params = p
ff2.build()
#self.forces.removeForceField(ff)
import ForceGroup
ForceGroup._swig_setattr_nondynamic(ff2, ForceGroup.ForceGroup, "thisown", 0)
return ff2
def deepCopyForce(self, ff):
p = ff.params
if ff.charmm:
ff2 = self.forces.makeForceField(self.phys, "charmm")
else:
ff2 = self.forces.makeForceField(self.phys)
for ii in ff.forcetypes:
ff2.forcetypes.append(ii)
ff2.params = p
ff2.build()
# self.forces.removeForceField(ff)
import ForceGroup
ForceGroup._swig_setattr_nondynamic(ff2, ForceGroup.ForceGroup, "thisown", 0)
return ff2
def setMOLLYForceGroups(self): """ Initialize MOLLY force fields and energies. """ self.myMOLLYForcesBonded = ForceGroup() self.myMOLLYForcesHBonded = ForceGroup() self.myHBondForces = ForceGroup() self.mollyEnergy = ScalarStructure.ScalarStructure()
class MOLLY(MTS):
"""
Parent class for all MOLLY propagators.
"""
def setMOLLYForceGroups(self):
"""
Initialize MOLLY force fields and energies.
"""
self.myMOLLYForcesBonded = ForceGroup()
self.myMOLLYForcesHBonded = ForceGroup()
self.myHBondForces = ForceGroup()
self.mollyEnergy = ScalarStructure.ScalarStructure()
def calculateBondedForces(self):
"""
Evaluate mollified bonded forces.
"""
self.mollyForces.zero()
self.myMOLLYForcesBonded.evaluateSystemForces(self.getTopo(), self.mollyPos, self.mollyForces, self.mollyEnergy)
class MOLLY(MTS):
"""
Parent class for all MOLLY propagators.
"""
def setMOLLYForceGroups(self):
"""
Initialize MOLLY force fields and energies.
"""
self.myMOLLYForcesBonded = ForceGroup()
self.myMOLLYForcesHBonded = ForceGroup()
self.myHBondForces = ForceGroup()
self.mollyEnergy = ScalarStructure.ScalarStructure()
def calculateBondedForces(self):
"""
Evaluate mollified bonded forces.
"""
self.mollyForces.zero()
self.myMOLLYForcesBonded.evaluateSystemForces(self.getTopo(),
self.mollyPos,
self.mollyForces,
self.mollyEnergy)
def shootFireworkRing(x, y, z, color1, color2, amp):
f = ParticleEffect.ParticleEffect()
p0 = Particles.Particles('particles-1')
p0.setFactory('PointParticleFactory')
p0.setRenderer('SparkleParticleRenderer')
p0.setEmitter('RingEmitter')
p0.setPoolSize(100)
p0.setBirthRate(0.01)
p0.setLitterSize(100)
p0.setLitterSpread(0)
p0.factory.setLifespanBase(1.5)
p0.factory.setLifespanSpread(0.5)
p0.factory.setMassBase(1.0)
p0.factory.setMassSpread(0.0)
p0.factory.setTerminalVelocityBase(20.0)
p0.factory.setTerminalVelocitySpread(2.0)
p0.renderer.setAlphaMode(BaseParticleRenderer.PRALPHAOUT)
p0.renderer.setUserAlpha(1.0)
p0.renderer.setCenterColor(color1)
p0.renderer.setEdgeColor(color2)
p0.renderer.setBirthRadius(0.29999999999999999)
p0.renderer.setDeathRadius(0.29999999999999999)
p0.renderer.setLifeScale(SparkleParticleRenderer.SPNOSCALE)
p0.emitter.setEmissionType(BaseParticleEmitter.ETRADIATE)
p0.emitter.setAmplitude(0)
p0.emitter.setAmplitudeSpread(0)
f0 = ForceGroup.ForceGroup('gravity')
force0 = LinearSourceForce(Point3(x, y,
z + 10), LinearDistanceForce.FTONEOVERR,
0.10000000000000001, 1.1000000000000001 * amp,
1)
force0.setActive(1)
f0.addForce(force0)
force1 = LinearSinkForce(Point3(x, y, z + 10),
LinearDistanceForce.FTONEOVERR, 0.5, 2.0 * amp, 1)
force1.setActive(1)
f0.addForce(force1)
f.addForceGroup(f0)
p0.emitter.setRadius(4.0)
f.addParticles(p0)
f.setPos(x, y, z + 10)
f.setHpr(0, random.random() * 180, random.random() * 180)
sfx = loader.loadSfx('phase_4/audio/sfx/firework_distance_03.mp3')
t = Sequence(Func(f.start, render, render),
Func(sfx.play),
Wait(0.5),
Func(p0.setBirthRate, 3),
Wait(1.5),
Func(f.cleanup),
name=getNextSequenceName('shootFireworkRing'))
t.start()
def shootFireworkCircleSprite(x, y, z, color, texture, amp):
f = ParticleEffect.ParticleEffect()
p0 = Particles.Particles('particles-1')
p0.setFactory('PointParticleFactory')
p0.setRenderer('SpriteParticleRenderer')
p0.setEmitter('SphereVolumeEmitter')
p0.setPoolSize(100)
p0.setBirthRate(0.01)
p0.setLitterSize(100)
p0.factory.setLifespanBase(2.0)
p0.factory.setLifespanSpread(0.5)
p0.factory.setTerminalVelocityBase(400.0)
p0.factory.setTerminalVelocitySpread(40.0)
p0.renderer.setAlphaMode(BaseParticleRenderer.PRALPHAUSER)
p0.renderer.setUserAlpha(1.0)
p0.renderer.setFromNode(texture)
p0.renderer.setColor(color)
p0.renderer.setXScaleFlag(1)
p0.renderer.setYScaleFlag(1)
p0.renderer.setInitialXScale(0.01)
p0.renderer.setFinalXScale(0.040000000000000001)
p0.renderer.setInitialYScale(0.01)
p0.renderer.setFinalYScale(0.040000000000000001)
p0.emitter.setEmissionType(BaseParticleEmitter.ETRADIATE)
p0.emitter.setAmplitudeSpread(0.10000000000000001)
p0.emitter.setAmplitude(amp)
p0.emitter.setRadius(0.10000000000000001)
f.addParticles(p0)
circleForceGroup = ForceGroup.ForceGroup('gravity')
force1 = LinearSinkForce(Point3(x, y, z - 100),
LinearDistanceForce.FTONEOVERRSQUARED, 2.0,
0.29999999999999999 * amp * 0.10000000000000001,
1)
force1.setActive(1)
circleForceGroup.addForce(force1)
f.addForceGroup(circleForceGroup)
f.setPos(x, y, z + 10)
sfxName = random.choice(('phase_4/audio/sfx/firework_explosion_01.mp3',
'phase_4/audio/sfx/firework_explosion_02.mp3',
'phase_4/audio/sfx/firework_explosion_03.mp3'))
sfx = loader.loadSfx(sfxName)
t = Sequence(Func(f.start, render, render),
Func(sfx.play),
Wait(0.5),
Func(p0.setBirthRate, 3),
Wait(2.0),
Func(f.cleanup),
name=getNextSequenceName('shootFireworkSprite'))
t.start()
def shootFireworkRocket(x, y, z, color1, color2, amp):
f = ParticleEffect.ParticleEffect()
p0 = Particles.Particles('particles-1')
p0.setFactory('PointParticleFactory')
p0.setRenderer('SparkleParticleRenderer')
p0.setEmitter('SphereVolumeEmitter')
p0.setPoolSize(110)
p0.setBirthRate(0.01)
p0.setLitterSize(2)
p0.setLitterSpread(0)
p0.factory.setLifespanBase(0.40000000000000002)
p0.factory.setLifespanSpread(0.10000000000000001)
p0.factory.setMassBase(1.0)
p0.factory.setMassSpread(0.0)
p0.factory.setTerminalVelocityBase(400.0)
p0.factory.setTerminalVelocitySpread(0.0)
p0.renderer.setAlphaMode(BaseParticleRenderer.PRALPHAOUT)
p0.renderer.setUserAlpha(1.0)
p0.renderer.setCenterColor(color1)
p0.renderer.setEdgeColor(color2)
p0.renderer.setBirthRadius(0.59999999999999998)
p0.renderer.setDeathRadius(0.59999999999999998)
p0.renderer.setLifeScale(SparkleParticleRenderer.SPNOSCALE)
p0.emitter.setEmissionType(BaseParticleEmitter.ETRADIATE)
p0.emitter.setAmplitude(amp)
p0.emitter.setAmplitudeSpread(0.0)
p0.emitter.setRadius(0.29999999999999999)
f.addParticles(p0)
gravityForceGroup = ForceGroup.ForceGroup('gravity')
force0 = LinearVectorForce(Vec3(0.0, 0.0, -10.0), 1.0, 0)
force0.setActive(1)
gravityForceGroup.addForce(force0)
f.addForceGroup(gravityForceGroup)
f.setPos(x, y, z)
sfxName = random.choice(('phase_4/audio/sfx/firework_whistle_01.mp3',
'phase_4/audio/sfx/firework_whistle_02.mp3'))
sfx = loader.loadSfx(sfxName)
t = Sequence(Func(f.start, render, render),
Func(sfx.play),
LerpPosInterval(f,
2.0,
Vec3(x, y, z + 20 * amp),
blendType='easeInOut'),
Func(p0.setBirthRate, 3),
Wait(0.5),
Func(f.cleanup),
name=getNextSequenceName('shootFirework'))
t.start()
def shootFireworkCircleGeneric(x, y, z, color1, color2, amp, poolSize):
f = ParticleEffect.ParticleEffect()
p0 = Particles.Particles('particles-1')
p0.setFactory('PointParticleFactory')
p0.setRenderer('SparkleParticleRenderer')
p0.setEmitter('SphereVolumeEmitter')
p0.setPoolSize(poolSize)
p0.setBirthRate(0.01)
p0.setLitterSize(poolSize)
p0.factory.setLifespanBase(2.0)
p0.factory.setLifespanSpread(0.5)
p0.factory.setTerminalVelocityBase(400.0)
p0.factory.setTerminalVelocitySpread(40.0)
p0.renderer.setAlphaMode(BaseParticleRenderer.PRALPHAOUT)
p0.renderer.setUserAlpha(1.0)
p0.renderer.setCenterColor(color1)
p0.renderer.setEdgeColor(color1)
p0.renderer.setBirthRadius(0.4)
p0.renderer.setDeathRadius(0.6)
p0.renderer.setLifeScale(SparkleParticleRenderer.SPSCALE)
p0.emitter.setEmissionType(BaseParticleEmitter.ETRADIATE)
p0.emitter.setAmplitudeSpread(0.1)
p0.emitter.setAmplitude(amp)
p0.emitter.setRadius(0.1)
f.addParticles(p0)
circleForceGroup = ForceGroup.ForceGroup('gravity')
force1 = LinearSinkForce(Point3(x, y, z - 100),
LinearDistanceForce.FTONEOVERRSQUARED, 2.0,
0.3 * amp * 0.1, 1)
force1.setActive(1)
circleForceGroup.addForce(force1)
f.addForceGroup(circleForceGroup)
f.setPos(x, y, z + 10)
sfxName = random.choice(('phase_4/audio/sfx/firework_explosion_01.mp3',
'phase_4/audio/sfx/firework_explosion_02.mp3',
'phase_4/audio/sfx/firework_explosion_03.mp3'))
sfx = loader.loadSfx(sfxName)
t = Sequence(Func(f.start, render, render),
Func(sfx.play),
Wait(0.5),
Func(p0.setBirthRate, 3),
Wait(0.5),
Func(p0.renderer.setCenterColor, color2),
Func(p0.renderer.setEdgeColor, color2),
Wait(1.5),
Func(f.cleanup),
name=getNextSequenceName('shootFireworkCircle'))
t.start()
if __name__ == "__main__":
from direct.directbase.TestStart import *
from panda3d.physics import LinearVectorForce
from panda3d.core import Vec3
import ParticleEffect
from direct.tkpanels import ParticlePanel
import Particles
import ForceGroup
# Showbase
base.enableParticles()
# ForceGroup
fg = ForceGroup.ForceGroup()
gravity = LinearVectorForce(Vec3(0.0, 0.0, -10.0))
fg.addForce(gravity)
# Particles
p = Particles.Particles()
# Particle effect
pe = ParticleEffect.ParticleEffect('particle-fx')
pe.reparentTo(render)
#pe.setPos(0.0, 5.0, 4.0)
pe.addForceGroup(fg)
pe.addParticles(p)
# Particle Panel
pp = ParticlePanel.ParticlePanel(pe)
def build(self):
"""
Using an MDL force factory, instantiate all force objects stored in the forcetypes data member of each force field. These will be SWIG-wrapped objects and are appended to the forcearray data member of each force field.
"""
# TMC 1-13-08: I think this can be improved. Future:
# 1. Have a build() member of the ForceField class.
# 2. Make the ForceFactory a singleton.
# 3. Give the ForceFactory a method which maps force characters to creation functions. In this way there are multiple mapping levels.
self.forceFactory.hd = 0
if (self.params['LennardJones'] !=
self.params['Coulomb']):
self.breakLennardJonesCoulombForce()
self.dirty = 0
self.forcearray = []
bornflag=-1
for forcetype in self.forcetypes:
if (forcetype == 'b'):
self.forcearray.append(self.forceFactory.createBondForce(self.bc))
elif (forcetype == 'a'):
self.forcearray.append(self.forceFactory.createAngleForce(self.bc))
elif (forcetype == 'd'):
self.forcearray.append(self.forceFactory.createDihedralForce(self.bc))
elif (forcetype == 'i'):
self.forcearray.append(self.forceFactory.createImproperForce(self.bc))
elif (forcetype == 'l'):
self.forcearray.append(self.forceFactory.createLennardJonesForce(self.bc, self.params['LennardJones']))
elif (forcetype == 'c'):
if (self.params['Coulomb']['algorithm'] == 'SCPISM'):
self.phys.myTop.doSCPISM = 1
self.phys.build()
#if (not self.params['Coulomb'].has_key('NoBorn')):
# print "CREATING BORN FORCE"
# self.forcearray.append(self.forceFactory.createBornForce(self.bc, self.params['Coulomb']))
# bornflag = len(self.forcearray)-1
#else:
# print "NOT CREATING BORN FORCE"
if (self.params['Coulomb']['algorithm'] == 'GB' or
self.params['Coulomb']['algorithm'] == 'GBACE'):
self.forcearray.append(self.forceFactory.createBornBurial())
self.addForce(self.forcearray[len(self.forcearray)-1])
self.forcearray.append(self.forceFactory.createBornRadii())
self.addForce(self.forcearray[len(self.forcearray)-1])
if (not self.params['Coulomb'].has_key('OnlyBorn')):
self.forcearray.append(self.forceFactory.createCoulombForce(self.bc, self.params['Coulomb']))
elif (forcetype == 'e'):
self.forcearray.append(self.forceFactory.createCoulombDiElecForce(self.bc, self.params['CoulombDiElec']))
elif (forcetype == 'lc'):
self.forcearray.append(self.forceFactory.createLennardJonesCoulombForce(self.bc, self.params['LennardJonesCoulomb']))
elif (forcetype == 'h'):
self.forcearray.append(self.forceFactory.createHarmDihedralForce(self.bc, self.params['HarmonicDihedral']))
self.addForce(self.forcearray[len(self.forcearray)-1])
import ForceGroup
ForceGroup._swig_setattr_nondynamic(self.forcearray[len(self.forcearray)-1], ForceGroup.Force, "thisown", 0)
if (bornflag != -1): self.forcetypes.insert(bornflag, 'c')
for pyforce in self.pythonforces:
self.forcearray.append(PySystemForce.PySystemForce(pyforce))
PySystemForce._swig_setattr_nondynamic(self.forcearray[len(self.forcearray)-1], PySystemForce.PySystemForce, "thisown", 0)
self.addSystemForce(self.forcearray[len(self.forcearray)-1])
def build(self):
"""
Using an MDL force factory, instantiate all force objects stored in the forcetypes data member of each force field. These will be SWIG-wrapped objects and are appended to the forcearray data member of each force field.
"""
# TMC 1-13-08: I think this can be improved. Future:
# 1. Have a build() member of the ForceField class.
# 2. Make the ForceFactory a singleton.
# 3. Give the ForceFactory a method which maps force characters to creation functions. In this way there are multiple mapping levels.
self.forceFactory.hd = 0
if (self.params['LennardJones'] != self.params['Coulomb']):
self.breakLennardJonesCoulombForce()
self.dirty = 0
self.forcearray = []
bornflag = -1
for forcetype in self.forcetypes:
if (forcetype == 'b'):
self.forcearray.append(
self.forceFactory.createBondForce(self.bc))
elif (forcetype == 'a'):
self.forcearray.append(
self.forceFactory.createAngleForce(self.bc))
elif (forcetype == 'd'):
self.forcearray.append(
self.forceFactory.createDihedralForce(self.bc))
elif (forcetype == 'i'):
self.forcearray.append(
self.forceFactory.createImproperForce(self.bc))
elif (forcetype == 'l'):
self.forcearray.append(
self.forceFactory.createLennardJonesForce(
self.bc, self.params['LennardJones']))
elif (forcetype == 'c'):
if (self.params['Coulomb']['algorithm'] == 'SCPISM'):
self.phys.myTop.doSCPISM = 1
self.phys.build()
#if (not self.params['Coulomb'].has_key('NoBorn')):
# print "CREATING BORN FORCE"
# self.forcearray.append(self.forceFactory.createBornForce(self.bc, self.params['Coulomb']))
# bornflag = len(self.forcearray)-1
#else:
# print "NOT CREATING BORN FORCE"
if (self.params['Coulomb']['algorithm'] == 'GB'
or self.params['Coulomb']['algorithm'] == 'GBACE'):
self.forcearray.append(
self.forceFactory.createBornBurial())
self.addForce(self.forcearray[len(self.forcearray) - 1])
self.forcearray.append(self.forceFactory.createBornRadii())
self.addForce(self.forcearray[len(self.forcearray) - 1])
if (not self.params['Coulomb'].has_key('OnlyBorn')):
self.forcearray.append(
self.forceFactory.createCoulombForce(
self.bc, self.params['Coulomb']))
elif (forcetype == 'e'):
self.forcearray.append(
self.forceFactory.createCoulombDiElecForce(
self.bc, self.params['CoulombDiElec']))
elif (forcetype == 'lc'):
self.forcearray.append(
self.forceFactory.createLennardJonesCoulombForce(
self.bc, self.params['LennardJonesCoulomb']))
elif (forcetype == 'h'):
self.forcearray.append(
self.forceFactory.createHarmDihedralForce(
self.bc, self.params['HarmonicDihedral']))
self.addForce(self.forcearray[len(self.forcearray) - 1])
import ForceGroup
ForceGroup._swig_setattr_nondynamic(
self.forcearray[len(self.forcearray) - 1], ForceGroup.Force,
"thisown", 0)
if (bornflag != -1): self.forcetypes.insert(bornflag, 'c')
for pyforce in self.pythonforces:
self.forcearray.append(PySystemForce.PySystemForce(pyforce))
PySystemForce._swig_setattr_nondynamic(
self.forcearray[len(self.forcearray) - 1],
PySystemForce.PySystemForce, "thisown", 0)
self.addSystemForce(self.forcearray[len(self.forcearray) - 1])
