Пример #1
0
    from numpy.linalg import norm
except ImportError:
    from numjy import matrix
    from numjy.linalg import norm

from diffcalc.log import logging
from diffcalc.hkl.calcbase import HklCalculatorBase
from diffcalc.hkl.you.geometry import create_you_matrices, calcMU, calcPHI, \
    calcCHI
from diffcalc.hkl.you.geometry import YouPosition
from diffcalc.util import DiffcalcException, bound, angle_between_vectors
from diffcalc.util import cross3, z_rotation, x_rotation
from diffcalc.ub.calc import PaperSpecificUbCalcStrategy

from diffcalc.hkl.you.constraints import NUNAME
logger = logging.getLogger("diffcalc.hkl.you.calc")
I = matrix('1 0 0; 0 1 0; 0 0 1')
y = matrix('0; 1; 0')

SMALL = 1e-8
TORAD = pi / 180
TODEG = 180 / pi

PRINT_DEGENERATE = False


def is_small(x):
    return abs(x) < SMALL


def ne(a, b):
Пример #2
0
try:
    from collection import OrderedDict
except ImportError:
    from simplejson import OrderedDict

try:
    import json
except ImportError:
    import simplejson as json

try:
    from numpy import matrix
except ImportError:
    from numjy import matrix

logger = logging.getLogger("diffcalc.ub.calcstate")

TODEG = 180 / pi


class UBCalcState():
    
    def __init__(self, name=None, crystal=None, reflist=None, orientlist=None, tau=0, sigma=0,
                 manual_U=None, manual_UB=None, or0=None, or1=None, reference=None, surface=None):

        assert reflist is not None
        self.name = name
        self.crystal = crystal
        self.reflist = reflist
        self.orientlist = orientlist
        self.tau = tau  # degrees
Пример #3
0
from math import pi, asin, acos, atan2, sin, cos, sqrt

try:
    from numpy import matrix
except ImportError:
    from numjy import matrix

from diffcalc.log import logging
from diffcalc.util import bound, AbstractPosition, DiffcalcException,\
    x_rotation, z_rotation
from diffcalc.hkl.vlieg.geometry import VliegGeometry
from diffcalc.ub.calc import PaperSpecificUbCalcStrategy
from diffcalc.hkl.calcbase import HklCalculatorBase
from diffcalc.hkl.common import DummyParameterManager

logger = logging.getLogger("diffcalc.hkl.willmot.calcwill")

CHOOSE_POSITIVE_GAMMA = True

TORAD = pi / 180
TODEG = 180 / pi
I = matrix('1 0 0; 0 1 0; 0 0 1')
SMALL = 1e-10

TEMPORARY_CONSTRAINTS_DICT_RAD = {'betain': 2 * TORAD}


def create_matrices(delta, gamma, omegah, phi):
    return (calc_DELTA(delta), calc_GAMMA(gamma), calc_OMEGAH(omegah),
            calc_PHI(phi))
Пример #4
0
from math import pi, asin, acos, atan2, sin, cos, sqrt

try:
    from numpy import matrix
except ImportError:
    from numjy import matrix

from diffcalc.log import logging
from diffcalc.util import bound, AbstractPosition, DiffcalcException,\
    x_rotation, z_rotation
from diffcalc.hkl.vlieg.geometry import VliegGeometry
from diffcalc.ub.calc import PaperSpecificUbCalcStrategy
from diffcalc.hkl.calcbase import HklCalculatorBase
from diffcalc.hkl.common import DummyParameterManager

logger = logging.getLogger("diffcalc.hkl.willmot.calcwill")

CHOOSE_POSITIVE_GAMMA = True

TORAD = pi / 180
TODEG = 180 / pi
I = matrix('1 0 0; 0 1 0; 0 0 1')
SMALL = 1e-10

TEMPORARY_CONSTRAINTS_DICT_RAD = {'betain': 2 * TORAD}


def create_matrices(delta, gamma, omegah, phi):
    return (calc_DELTA(delta), calc_GAMMA(gamma), calc_OMEGAH(omegah),
            calc_PHI(phi))
Пример #5
0
    from numpy.linalg import norm
except ImportError:
    from numjy import matrix
    from numjy.linalg import norm

from diffcalc.log import logging
from diffcalc.hkl.calcbase import HklCalculatorBase
from diffcalc.hkl.you.geometry import create_you_matrices, calcMU, calcPHI, \
    calcCHI
from diffcalc.hkl.you.geometry import YouPosition
from diffcalc.util import DiffcalcException, bound, angle_between_vectors
from diffcalc.util import cross3, z_rotation, x_rotation
from diffcalc.ub.calc import PaperSpecificUbCalcStrategy

from diffcalc.hkl.you.constraints import NUNAME
logger = logging.getLogger("diffcalc.hkl.you.calc")
I = matrix('1 0 0; 0 1 0; 0 0 1')
y = matrix('0; 1; 0')

SMALL = 1e-8
TORAD = pi / 180
TODEG = 180 / pi

PRINT_DEGENERATE = False


def is_small(x):
    return abs(x) < SMALL


def ne(a, b):