import numpy as np
from hexrd.constants import FZtypeArray, FZorderArray
from hexrd.utils.decorators import numba_njit_if_available
from hexrd import constants
if constants.USE_NUMBA:
from numba import prange
else:
prange = range
[docs]@numba_njit_if_available(cache=True, nogil=True)
def getFZtypeandOrder(pgnum):
FZtype = FZtypeArray[pgnum-1]
FZorder = FZorderArray[pgnum-1]
return np.array([FZtype, FZorder])
[docs]@numba_njit_if_available(cache=True, nogil=True)
def insideCyclicFZ(ro, FZorder):
res = False
if ro[3] == np.inf:
if FZorder == 2:
if ro[1] == 0.0:
res = True
else:
if ro[2] == 0.0:
res = True
else:
if FZorder == 2:
res = np.abs(ro[1]*ro[3]) <= constants.BP[FZorder-1]
else:
res = np.abs(ro[2]*ro[3]) <= constants.BP[FZorder-1]
return res
[docs]@numba_njit_if_available(cache=True, nogil=True)
def insideDihedralFZ(ro, FZorder):
if np.abs(ro[3]) >= np.sqrt(3.0):
return False
else:
rod = ro[0:3] * ro[3]
c1 = (np.abs(rod[2]) <= constants.BP[FZorder-1])
if c1:
if FZorder == 2:
c2 = np.logical_and(np.abs(rod[0]) <= 1.0,
np.abs(rod[1]) <= 1.0)
elif FZorder == 3:
srt = np.sqrt(3.0)/2.0
c2 = np.abs(srt*rod[0] + 0.5*rod[1]) <= 1.0
c3 = np.abs(srt*rod[0] - 0.5*rod[1]) <= 1.0
c4 = np.abs(rod[1]) <= 1.0
return np.logical_and(c2,
np.logical_and(c3, c4))
elif FZorder == 4:
r22 = 1.0/np.sqrt(2.0)
c2 = np.logical_and(np.abs(rod[0]) <= 1.0,
np.abs(rod[1]) <= 1.0)
c3 = np.logical_and(r22*np.abs(rod[0]+rod[1]) <= 1.0,
r22*np.abs(rod[0]-rod[1]) <= 1.0)
return np.logical_and(c2, c3)
elif FZorder == 6:
srt = np.sqrt(3.0)/2.0
c2 = np.abs(0.5*rod[0] + srt*rod[1]) < 1.0
c2 = np.logical_and(c2,
np.abs(srt*rod[0] + 0.5*rod[1]) < 1.0)
c2 = np.logical_and(c2,
np.abs(0.5*rod[0] - srt*rod[1]) < 1.0)
c2 = np.logical_and(c2,
np.abs(srt*rod[0] - 0.5*rod[1]) < 1.0)
c2 = np.logical_and(c2,
np.logical_and(np.abs(rod[0]) <= 1.0,
np.abs(rod[1]) <= 1.0))
return c2
else:
return False
[docs]@numba_njit_if_available(cache=True, nogil=True)
def insideCubicFZ(ro, kwrd):
rod = np.abs(ro[0:3] * ro[3])
if kwrd == 'oct':
c1 = (np.max(rod) - constants.BP[3]) <= 1E-8
else:
c1 = True
c2 = (rod[0]+rod[1]+rod[2] - 1.0) <= 1E-8
res = np.logical_and(c1, c2)
return res
[docs]@numba_njit_if_available(cache=True, nogil=True)
def insideFZ(ro, pgnum):
res = getFZtypeandOrder(pgnum)
FZtype = res[0]
FZorder = res[1]
if FZtype == 0:
return True
elif FZtype == 1:
return insideCyclicFZ(ro, FZorder)
elif FZtype == 2:
if ro[3] == np.inf:
return False
else:
return insideDihedralFZ(ro, FZorder)
elif FZtype == 3:
if ro[3] == np.inf:
return False
else:
return insideCubicFZ(ro, 'tet')
elif FZtype == 4:
if ro[3] == np.inf:
return False
else:
return insideCubicFZ(ro, 'oct')