def test1():
import crystal.UnitCell as UC
from crystal.Atom import Atom
print "This test should plot some phonon isosurfaces."
path = ExcitationSlicer.__file__.strip('__init__.pyc')
cellvectors=[[3.0, 0.0, 0.0], [0.0, 3.0, 0.0], [0.0, 0.0, 3.0]]
#uc = UC.create_unitcell(cellvectors, [Atom(Z=23), Atom(Z=23)], [(0,0,0), (0.5, 0.5, 0.5)])
uc = UC.UnitCell()
uc.setCellVectors(cellvectors)
uc.addAtom(Atom(Z=23), (0,0,0), '')
uc.addAtom(Atom(Z=23), (0.5,0.5,0.5), '')
print uc
myplotter = VTKIsoSurfacePlotter()
calc = phonIsoSurfaceCalcor(unitcell=uc, tau=[1.0,0.0,0.0], plotter=myplotter)
calc.setDataFile(path+'data/phon_out.pkl')
calc.loadPhononData()
print "Plot phonon eigen-energy isosurfaces."
calc.plotEnergyIsoSurface(branchtoplot=3, energyvalues=[10,45])
#wait for input
input = raw_input("Finished test1.")
return
def test2():
import crystal.UnitCell as UC
from crystal.Atom import Atom
path = ExcitationSlicer.__file__.strip('__init__.pyc')
cellvectors = [[3.0, 0.0, 0.0], [0.0, 3.0, 0.0], [0.0, 0.0, 3.0]]
#uc = UC.create_unitcell(cellvectors, [Atom(Z=23), Atom(Z=23)], [(0,0,0), (0.5, 0.5, 0.5)])
uc = UC.UnitCell()
uc.setCellVectors(cellvectors)
uc.addAtom(Atom(Z=23), (0, 0, 0), '')
uc.addAtom(Atom(Z=23), (0.5, 0.5, 0.5), '')
#Now we want to plot the isosurface with intensity mapped on it:
myplotter2 = VTKIsoSurfaceIntensityPlotter()
calc2 = phonIsoSurfaceCalcor(unitcell=uc,
tau=[1.0, 0.0, 0.0],
plotter=myplotter2)
calc2.setDataFile(path + 'data/phon_out.pkl')
calc2.loadPhononData()
calc2.plotIsoSurfaceIntensity(branchtoplot=3,
atomtoplot=0,
energyvalues=[30])
#wait for input
input = raw_input("Finished test2.")
return
def test1():
import crystal.UnitCell as UC
from crystal.Atom import Atom
print "This test should plot some phonon isosurfaces."
path = ExcitationSlicer.__file__.strip('__init__.pyc')
cellvectors = [[3.0, 0.0, 0.0], [0.0, 3.0, 0.0], [0.0, 0.0, 3.0]]
#uc = UC.create_unitcell(cellvectors, [Atom(Z=23), Atom(Z=23)], [(0,0,0), (0.5, 0.5, 0.5)])
uc = UC.UnitCell()
uc.setCellVectors(cellvectors)
uc.addAtom(Atom(Z=23), (0, 0, 0), '')
uc.addAtom(Atom(Z=23), (0.5, 0.5, 0.5), '')
print uc
myplotter = VTKIsoSurfacePlotter()
calc = phonIsoSurfaceCalcor(unitcell=uc,
tau=[1.0, 0.0, 0.0],
plotter=myplotter)
calc.setDataFile(path + 'data/phon_out.pkl')
calc.loadPhononData()
print "Plot phonon eigen-energy isosurfaces."
calc.plotEnergyIsoSurface(branchtoplot=3, energyvalues=[10, 45])
#wait for input
input = raw_input("Finished test1.")
return
def test3():
import crystal.UnitCell as UC
from crystal.Atom import Atom
path = ExcitationSlicer.__file__.strip('__init__.pyc')
cellvectors=[[3.0, 0.0, 0.0], [0.0, 3.0, 0.0], [0.0, 0.0, 3.0]]
uc = UC.UnitCell()
uc.setCellVectors(cellvectors)
uc.addAtom(Atom(Z=23), (0,0,0), '')
uc.addAtom(Atom(Z=23), (0.5,0.5,0.5), '')
myslicer = VTKPlaneSlicer()
calc = phonIsoSurfaceCalcor(unitcell=uc, tau=[1.0,0.0,0.0], slicer=myslicer)
calc.setDataFile(path+'data/phon_out.pkl')
calc.loadPhononData()
calc.plotIntensityPlaneCut(branchtoplot=3,atomtoplot=0)
input = raw_input("Finished test3.")
return
def test3():
import crystal.UnitCell as UC
from crystal.Atom import Atom
path = ExcitationSlicer.__file__.strip('__init__.pyc')
cellvectors = [[3.0, 0.0, 0.0], [0.0, 3.0, 0.0], [0.0, 0.0, 3.0]]
uc = UC.UnitCell()
uc.setCellVectors(cellvectors)
uc.addAtom(Atom(Z=23), (0, 0, 0), '')
uc.addAtom(Atom(Z=23), (0.5, 0.5, 0.5), '')
myslicer = VTKPlaneSlicer()
calc = phonIsoSurfaceCalcor(unitcell=uc,
tau=[1.0, 0.0, 0.0],
slicer=myslicer)
calc.setDataFile(path + 'data/phon_out.pkl')
calc.loadPhononData()
calc.plotIntensityPlaneCut(branchtoplot=3, atomtoplot=0)
input = raw_input("Finished test3.")
return
def test2():
import crystal.UnitCell as UC
from crystal.Atom import Atom
path = ExcitationSlicer.__file__.strip('__init__.pyc')
cellvectors=[[3.0, 0.0, 0.0], [0.0, 3.0, 0.0], [0.0, 0.0, 3.0]]
#uc = UC.create_unitcell(cellvectors, [Atom(Z=23), Atom(Z=23)], [(0,0,0), (0.5, 0.5, 0.5)])
uc = UC.UnitCell()
uc.setCellVectors(cellvectors)
uc.addAtom(Atom(Z=23), (0,0,0), '')
uc.addAtom(Atom(Z=23), (0.5,0.5,0.5), '')
#Now we want to plot the isosurface with intensity mapped on it:
myplotter2 = VTKIsoSurfaceIntensityPlotter()
calc2 = phonIsoSurfaceCalcor(unitcell=uc, tau=[1.0,0.0,0.0], plotter=myplotter2)
calc2.setDataFile(path+'data/phon_out.pkl')
calc2.loadPhononData()
calc2.plotIsoSurfaceIntensity(branchtoplot=3, atomtoplot=0, energyvalues=[30])
#wait for input
input = raw_input("Finished test2.")
return