File: pbc.py

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# encoding: utf-8
# 2010 © Václav Šmilauer <eudoxos@arcig.cz>
'''
Various computations affected by the periodic boundary conditions.
'''

import unittest
import random, math
from yade.wrapper import *
from yade._customConverters import *
from yade import utils
from yade import *
from yade.minieigenHP import *


class TestPBC(unittest.TestCase):
	# prefix test names with PBC:
	def setUp(self):
		O.reset()
		O.periodic = True
		O.cell.setBox(2.5, 2.5, 3)
		self.cellDist = Vector3i(0, 0, 10)  # how many cells away we go
		self.relDist = Vector3(0, .999999999999999999, 0)  # rel position of the 2nd ball within the cell
		self.initVel = Vector3(0, 0, 5)
		O.bodies.append(utils.sphere((1, 1, 1), .5))
		self.initPos = Vector3([O.bodies[0].state.pos[i] + self.relDist[i] + self.cellDist[i] * O.cell.refSize[i] for i in (0, 1, 2)])
		O.bodies.append(utils.sphere(self.initPos, .5))
		#print O.bodies[1].state.pos
		O.bodies[1].state.vel = self.initVel
		O.engines = [NewtonIntegrator(warnNoForceReset=False)]
		O.cell.velGrad = Matrix3(0, 0, 0, 0, 0, 0, 0, 0, -1)
		O.dt = 0  # do not change positions with dt=0 in NewtonIntegrator, but still update velocities from velGrad

	def testVelGrad(self):
		'PBC: velGrad changes hSize, accumulates in trsf'
		O.dt = 1e-3
		hSize, trsf = O.cell.hSize, Matrix3.Identity
		hSize0 = hSize
		O.step()
		for i in range(0, 10):
			O.step()
			hSize += O.dt * O.cell.velGrad * hSize
			trsf += O.dt * O.cell.velGrad * trsf
		for i in range(0, len(O.cell.hSize)):
			self.assertAlmostEqual(hSize[i], O.cell.hSize[i])
			self.assertAlmostEqual(trsf[i], O.cell.trsf[i])

	def testTrsfChange(self):
		'PBC: chaing trsf changes hSize0, but does not modify hSize'
		O.dt = 1e-2
		O.step()
		O.cell.trsf = Matrix3.Identity
		for i in range(0, len(O.cell.hSize)):
			self.assertAlmostEqual(O.cell.hSize0[i], O.cell.hSize[i])

	def testDegenerate(self):
		"PBC: degenerate cell raises exception"
		self.assertRaises(RuntimeError, lambda: setattr(O.cell, 'hSize', Matrix3(1, 0, 0, 0, 0, 0, 0, 0, 1)))

	def testSetBox(self):
		"PBC: setBox modifies hSize correctly"
		O.cell.setBox(2.55, 11, 45)
		self.assertTrue(O.cell.hSize == Matrix3(2.55, 0, 0, 0, 11, 0, 0, 0, 45))

	def testHomotheticResizeVel(self):
		"PBC: homothetic cell deformation adjusts particle velocity "
		O.dt = 1e-5
		O.step()
		s1 = O.bodies[1].state
		self.assertAlmostEqual(s1.vel[2], self.initVel[2] + self.initPos[2] * O.cell.velGrad[2, 2])

	def testScGeomIncidentVelocity(self):
		"PBC: ScGeom computes incident velocity correctly"
		O.run(2, 1)
		O.engines = [InteractionLoop([Ig2_Sphere_Sphere_ScGeom()], [Ip2_FrictMat_FrictMat_FrictPhys()], [])]
		i = utils.createInteraction(0, 1)
		self.assertEqual(self.initVel, i.geom.incidentVel(i, avoidGranularRatcheting=True))
		self.assertEqual(self.initVel, i.geom.incidentVel(i, avoidGranularRatcheting=False))
		self.assertAlmostEqual(self.relDist[1], 1 - i.geom.penetrationDepth)

	def testL3GeomIncidentVelocity(self):
		"PBC: L3Geom computes incident velocity correctly"
		O.step()
		O.engines = [
		        ForceResetter(),
		        InteractionLoop([Ig2_Sphere_Sphere_L3Geom()], [Ip2_FrictMat_FrictMat_FrictPhys()], [Law2_L3Geom_FrictPhys_ElPerfPl(noBreak=True)]),
		        NewtonIntegrator()
		]
		i = utils.createInteraction(0, 1)
		O.dt = 1e-10
		O.step()  # tiny timestep, to not move the normal too much
		self.assertAlmostEqual(self.initVel.norm(), (i.geom.u / O.dt).norm())

	def testKineticEnergy(self):
		"PBC: utils.kineticEnergy considers only fluctuation velocity, not the velocity gradient"
		O.step()  # updates velocity with homotheticCellResize
		# ½(mv²+ωIω)
		# #0 is still, no need to add it; #1 has zero angular velocity
		# we must take self.initVel since O.bodies[1].state.vel now contains the homothetic resize which utils.kineticEnergy is supposed to compensate back
		Ek = .5 * O.bodies[1].state.mass * self.initVel.squaredNorm()
		self.assertAlmostEqual(Ek, utils.kineticEnergy())