def test_MRA():
legendre = LegendreBasis(order=5)
interpol = InterpolatingBasis(order=5)
world = vp.BoundingBox(scale=-1)
mra = vp.MultiResolutionAnalysis(box=world, basis=interpol, max_depth=20)
assert mra == vp.MultiResolutionAnalysis(box=world, order=5, max_depth=20)
assert mra == vp.MultiResolutionAnalysis(box=world,
basis=interpol,
max_depth=20)
assert mra != vp.MultiResolutionAnalysis(
box=world, basis=legendre, max_depth=20)
assert mra.maxDepth() == 20
assert mra.maxScale() == 19
assert mra.world() == world
assert mra.basis() == interpol
def test_PeriodicBox():
world = vp.BoundingBox(scaling=[np.pi, np.pi, np.pi], pbc=True)
assert world.size() == 1
assert world.size(dim=1) == 1
assert world.scale() == 0
assert world.isPeriodic() == True
assert world.boxLengths() == pytest.approx([np.pi, np.pi, np.pi])
assert world.boxLength(dim=1) == pytest.approx(np.pi)
assert world.upperBounds() == pytest.approx([np.pi, np.pi, np.pi])
assert world.upperBound(dim=1) == pytest.approx(np.pi)
assert world.lowerBounds() == pytest.approx([0.0, 0.0, 0.0])
assert world.lowerBound(dim=1) == pytest.approx(0.0)
assert world.unitLengths() == pytest.approx([np.pi, np.pi, np.pi])
assert world.unitLength(dim=1) == pytest.approx(np.pi)
assert world.scalingFactors() == pytest.approx([np.pi, np.pi, np.pi])
assert world.scalingFactor(dim=1) == pytest.approx(np.pi)
def test_BuildProjectSemiPeriodicGauss():
sfac = [np.pi / 3, np.pi / 3, np.pi / 3]
periodic_world = vp.BoundingBox(scaling=sfac, pbc=True)
pbc = vp.MultiResolutionAnalysis(box=periodic_world, order=k)
tree_1 = vp.FunctionTree(pbc)
vp.advanced.build_grid(out=tree_1, inp=gauss)
vp.advanced.project(out=tree_1, inp=gauss)
assert tree_1.integrate() < 1.0
pgauss = gauss.periodify(period=sfac, std_dev=6.0)
assert pgauss.size() > 0
tree_2 = vp.FunctionTree(pbc)
vp.advanced.build_grid(out=tree_2, inp=pgauss)
vp.advanced.project(out=tree_2, inp=pgauss)
assert tree_2.integrate() == pytest.approx(1.0, rel=epsilon)
def test_PeriodicIdentity():
world = vp.BoundingBox(pbc=True, corner=[-1, -1, -1], nboxes=[2, 2, 2])
pbc = vp.MultiResolutionAnalysis(box=world, order=k)
pfunc = ffunc.periodify([1.0, 1.0, 1.0])
ftree = vp.FunctionTree(mra=pbc)
vp.advanced.build_grid(out=ftree, inp=pfunc)
vp.advanced.project(prec=epsilon, out=ftree, inp=pfunc)
I1 = vp.IdentityConvolution(mra=pbc, prec=epsilon, root=-5)
gtree1 = vp.FunctionTree(mra=pbc)
vp.advanced.apply(prec=epsilon, out=gtree1, oper=I1, inp=ftree)
assert gtree1.integrate() == pytest.approx(ftree.integrate(), rel=epsilon)
I2 = vp.IdentityConvolution(mra=pbc, prec=epsilon, reach=5)
gtree2 = vp.FunctionTree(mra=pbc)
vp.advanced.apply(prec=epsilon, out=gtree2, oper=I2, inp=ftree)
assert gtree2.integrate() == pytest.approx(ftree.integrate(), rel=epsilon)
def test_BoundingBox():
world = vp.BoundingBox(corner=[-1, -2, -3],
nboxes=[2, 4, 6],
scaling=[np.pi, np.pi, np.pi])
assert world.size() == 48
assert world.size(dim=2) == 6
assert world.scale() == 0
assert world.isPeriodic() == False
assert world.boxLengths() == pytest.approx(
[2 * np.pi, 4 * np.pi, 6 * np.pi])
assert world.boxLength(dim=2) == pytest.approx(6 * np.pi)
assert world.upperBounds() == pytest.approx([np.pi, 2 * np.pi, 3 * np.pi])
assert world.upperBound(dim=2) == pytest.approx(3 * np.pi)
assert world.lowerBounds() == pytest.approx(
[-np.pi, -2 * np.pi, -3 * np.pi])
assert world.lowerBound(dim=2) == pytest.approx(-3 * np.pi)
assert world.unitLengths() == pytest.approx([np.pi, np.pi, np.pi])
assert world.unitLength(dim=2) == pytest.approx(np.pi)
assert world.scalingFactors() == pytest.approx([np.pi, np.pi, np.pi])
assert world.scalingFactor(dim=2) == pytest.approx(np.pi)
import numpy as np
import pytest
from vampyr import vampyr3d as vp
epsilon = 1.0e-3
mu = epsilon / 10
D = 3
k = 5
N = -2
world = vp.BoundingBox(scale=N)
mra = vp.MultiResolutionAnalysis(box=world, order=k)
r0 = [0.8, 0.8, 0.8]
beta = 10.0
alpha = (beta / np.pi)**(D / 2.0)
ffunc = vp.GaussFunc(coef=alpha, exp=beta, pos=r0)
ref_energy = ffunc.calcCoulombEnergy(ffunc)
ftree = vp.FunctionTree(mra)
vp.advanced.build_grid(out=ftree, inp=ffunc)
vp.advanced.project(prec=epsilon, out=ftree, inp=ffunc)
def test_Identity():
I = vp.IdentityConvolution(mra, prec=epsilon)
gtree = vp.FunctionTree(mra)
vp.advanced.apply(prec=epsilon, out=gtree, oper=I, inp=ftree)
assert gtree.integrate() == pytest.approx(ftree.integrate(), rel=epsilon)