def __init__(self,
hkls,
*args,
**kwargs):
self.phaseID = None
self.__doTThSort = True
self.__exclusions = None
self.__tThMax = None
#
if len(args) == 4:
lparms, laueGroup, wavelength, strainMag = args
tThWidth = None
self.__wavelength = processWavelength(wavelength)
self.__lparms = self.__parseLParms(lparms)
elif len(args) == 1 and hasattr(args[0],'getParams'):
other = args[0]
lparms, laueGroup, wavelength, strainMag, tThWidth = other.getParams()
self.__wavelength = wavelength
self.__lparms = lparms
self.phaseID = other.phaseID
self.__doTThSort = other.__doTThSort
self.__exclusions = other.__exclusions
self.__tThMax = other.__tThMax
if hkls is None:
hkls = other.__hkls
else:
raise NotImplementedError, 'args : '+str(args)
self.__laueGroup = laueGroup
self.__qsym = symmetry.quatOfLaueGroup(self.__laueGroup)
self.__hkls = copy.deepcopy(hkls)
self.__strainMag = strainMag
self.tThWidth = tThWidth
# ... need to implement tThMin too
if kwargs.has_key('phaseID'):
self.phaseID = kwargs.pop('phaseID')
if kwargs.has_key('doTThSort'):
self.__doTThSort = kwargs.pop('doTThSort')
if kwargs.has_key('exclusions'):
self.__exclusions = kwargs.pop('exclusions')
if kwargs.has_key('tThMax'):
self.__tThMax = toFloat(kwargs.pop('tThMax'), 'radians')
if kwargs.has_key('tThWidth'):
self.tThWidth = kwargs.pop('tThWidth')
if len(kwargs) > 0:
raise RuntimeError, 'have unparsed keyword arguments with keys: '+str(kwargs.keys())
self.__calc()
return
#vertical dispersion correction
vd_lin=0. #vol_strain/mm
vd_const= 0.#vol_strain
###############################################################################
#%% Load data
###############################################################################
mat_list = cpl.load(open(material_file_loc, 'r'))
mat_idx = np.where([mat_list[i].name == mat_name for i in range(len(mat_list))])[0]
# grab plane data, and useful things hanging off of it
pd = mat_list[mat_idx[0]].planeData
qsyms=sym.quatOfLaueGroup(pd.getLaueGroup())
num_grain_files=len(grain_file_locs)
grain_data_list=[None]*num_grain_files
for i in np.arange(num_grain_files):
grain_data_list[i]=np.loadtxt(os.path.join(grain_file_locs[i],'grains.out'))
pos_0=grain_data_list[i][:,6:9]
mis = np.zeros(grain_map_g.shape)
q_mor = rot.quatOfExpMap(ori_mis.T)
q_avg = rot.quatOfExpMap(ori_avg.T)
material_file_loc = mat_file # hexrd material file in cpickle format
mat_name = 'ti7al'
mat_list = cpl.load(open(material_file_loc, 'r'))
mat_idx = np.where([
mat_list[i].name == mat_name for i in range(len(mat_list))
])[0]
# grab plane data, and useful things hanging off of it
pd = mat_list[mat_idx[0]].planeData
qsyms = sym.quatOfLaueGroup(pd.getLaueGroup())
for w in range(0, len(test[0])):
q2 = np.atleast_2d(q_mor[:, grain_map_g[test[0][w],
test[1][w],
test[2][w]]]).T
q1 = np.atleast_2d(q_avg[:, grain_id]).T
mis[test[0][w], test[1][w],
test[2][w]] = rot.misorientation(q1,
q2)[0] * 180. / np.pi
# plt.imshow(confidence_map_g[20,:,:],cmap='gray')
# plt.hold(True)
# plt.imshow(mis[20,:,:], alpha = 0.5)
# plt.colorbar()
#==============================================================================
#==============================================================================
loaded_colors = np.arange(0, len(loaded_scans))
unloaded_colors = np.arange(0, len(no_load_scans))
loaded_colornums = np.arange(10, 256, 246 / len(loaded_colors))
unloaded_colornums = np.arange(10, 256, 246 / len(unloaded_colors))
cmap = plt.cm.inferno_r
cmaplist = [cmap(i) for i in range(cmap.N)]
#%%
symmetry_symbol = 'd6h' #cubic high, d6h for hex high
crystal_symmetry = sym.quatOfLaueGroup(symmetry_symbol)
# grain = 97
# grain_id = int(grain_data['scan21'][grain,0])
# mis_ang = []
# rotmats_grain = []
# expmaps_grain = []
# Eulers_grain = np.zeros([len(no_load_scans),3])
quats_init = rot.quatOfExpMap(grain_data['scan21'][:, 3:6].T)
expmaps_init = grain_data['scan21'][:, 3:6].T
quats_final = rot.quatOfExpMap(
(grain_data['scan%d' % no_load_scans[-1]][:, 3:6].T))