Startup

script/__Lib/diffcalc-2.1/diffcalc/hkl/you/geometry.py

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+###
+# Copyright 2008-2011 Diamond Light Source Ltd.
+# This file is part of Diffcalc.
+#
+# Diffcalc is free software: you can redistribute it and/or modify
+# it under the terms of the GNU General Public License as published by
+# the Free Software Foundation, either version 3 of the License, or
+# (at your option) any later version.
+#
+# Diffcalc is distributed in the hope that it will be useful,
+# but WITHOUT ANY WARRANTY; without even the implied warranty of
+# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+# GNU General Public License for more details.
+#
+# You should have received a copy of the GNU General Public License
+# along with Diffcalc.  If not, see <http://www.gnu.org/licenses/>.
+###
+
+from math import pi
+
+from diffcalc.util import AbstractPosition, DiffcalcException
+
+TORAD = pi / 180
+TODEG = 180 / pi
+from diffcalc.util import x_rotation, z_rotation, y_rotation
+
+from diffcalc.hkl.you.constraints import NUNAME
+
+class YouGeometry(object):
+
+    def __init__(self, name, fixed_constraints, beamline_axes_transform=None):
+        self.name = name
+        self.fixed_constraints = fixed_constraints
+        # beamline_axes_transform matrix is composed of the diffcalc basis vector coordinates
+        # in the beamline coordinate system, i.e. it transforms the beamline coordinate system
+        # into the reference diffcalc one.
+        self.beamline_axes_transform = beamline_axes_transform
+
+    def physical_angles_to_internal_position(self, physical_angle_tuple):
+        raise NotImplementedError()
+
+    def internal_position_to_physical_angles(self, internal_position):
+        raise NotImplementedError()
+
+    def create_position(self, *args):
+        return YouPosition(*args, unit='DEG')
+
+
+#==============================================================================
+#==============================================================================
+# Geometry plugins for use with 'You' hkl calculation engine
+#==============================================================================
+#==============================================================================
+
+
+class SixCircle(YouGeometry):
+    def __init__(self, beamline_axes_transform=None):
+        YouGeometry.__init__(self, 'sixc', {}, beamline_axes_transform)
+
+    def physical_angles_to_internal_position(self, physical_angle_tuple):
+        # mu, delta, nu, eta, chi, phi
+        return YouPosition(*physical_angle_tuple, unit='DEG')
+
+    def internal_position_to_physical_angles(self, internal_position):
+        clone_position = internal_position.clone()
+        clone_position.changeToDegrees()
+        return clone_position.totuple()
+
+
+class FourCircle(YouGeometry):
+    """For a diffractometer with angles:
+          delta, eta, chi, phi
+    """
+    def __init__(self, beamline_axes_transform=None):
+        YouGeometry.__init__(self, 'fourc', {'mu': 0, NUNAME: 0}, beamline_axes_transform)
+
+    def physical_angles_to_internal_position(self, physical_angle_tuple):
+        # mu, delta, nu, eta, chi, phi
+        delta, eta, chi, phi = physical_angle_tuple
+        return YouPosition(0, delta, 0, eta, chi, phi, 'DEG')
+
+    def internal_position_to_physical_angles(self, internal_position):
+        clone_position = internal_position.clone()
+        clone_position.changeToDegrees()
+        _, delta, _, eta, chi, phi = clone_position.totuple()
+        return delta, eta, chi, phi
+
+
+class FiveCircle(YouGeometry):
+    """For a diffractometer with angles:
+          delta, nu, eta, chi, phi
+    """
+    def __init__(self, beamline_axes_transform=None):
+        YouGeometry.__init__(self, 'fivec', {'mu': 0}, beamline_axes_transform)
+
+    def physical_angles_to_internal_position(self, physical_angle_tuple):
+        # mu, delta, nu, eta, chi, phi
+        delta, nu, eta, chi, phi = physical_angle_tuple
+        return YouPosition(0, delta, nu, eta, chi, phi, 'DEG')
+
+    def internal_position_to_physical_angles(self, internal_position):
+        clone_position = internal_position.clone()
+        clone_position.changeToDegrees()
+        _, delta, nu, eta, chi, phi = clone_position.totuple()
+        return delta, nu, eta, chi, phi
+
+
+#==============================================================================
+
+
+def create_you_matrices(mu=None, delta=None, nu=None, eta=None, chi=None,
+                        phi=None):
+    """
+    Create transformation matrices from H. You's paper.
+    """
+    MU = None if mu is None else calcMU(mu)
+    DELTA = None if delta is None else calcDELTA(delta)
+    NU = None if nu is None else calcNU(nu)
+    ETA = None if eta is None else calcETA(eta)
+    CHI = None if chi is None else calcCHI(chi)
+    PHI = None if phi is None else calcPHI(phi)
+    return MU, DELTA, NU, ETA, CHI, PHI
+
+
+def calcNU(nu):
+    return x_rotation(nu)
+
+
+def calcDELTA(delta):
+    return z_rotation(-delta)
+
+
+def calcMU(mu_or_alpha):
+    return x_rotation(mu_or_alpha)
+
+
+def calcETA(eta):
+    return z_rotation(-eta)
+
+
+def calcCHI(chi):
+    return y_rotation(chi)
+
+
+def calcPHI(phi):
+    return z_rotation(-phi)
+
+
+def you_position_names():
+    return ('mu', 'delta', NUNAME, 'eta', 'chi', 'phi')
+
+class YouPosition(AbstractPosition):
+
+    def __init__(self, mu, delta, nu, eta, chi, phi, unit):
+        self.mu = mu
+        self.delta = delta
+        self.nu = nu
+        self.eta = eta
+        self.chi = chi
+        self.phi = phi
+        if unit not in ['DEG', 'RAD']:
+            raise DiffcalcException("Invalid angle unit value %s." % str(unit))
+        else:
+            self.unit = unit
+
+    def clone(self):
+        return YouPosition(self.mu, self.delta, self.nu, self.eta, self.chi,
+                           self.phi, self.unit)
+
+    def changeToRadians(self):
+        if self.unit == 'DEG':
+            self.mu *= TORAD
+            self.delta *= TORAD
+            self.nu *= TORAD
+            self.eta *= TORAD
+            self.chi *= TORAD
+            self.phi *= TORAD
+            self.unit = 'RAD'
+        elif self.unit == 'RAD':
+            return
+        else:
+            raise DiffcalcException("Invalid angle unit value %s." % str(self.unit))
+
+    def changeToDegrees(self):
+        if self.unit == 'RAD':
+            self.mu *= TODEG
+            self.delta *= TODEG
+            self.nu *= TODEG
+            self.eta *= TODEG
+            self.chi *= TODEG
+            self.phi *= TODEG
+            self.unit = 'DEG'
+        elif self.unit == 'DEG':
+            return
+        else:
+            raise DiffcalcException("Invalid angle unit value %s." % str(self.unit))
+
+    def totuple(self):
+        return (self.mu, self.delta, self.nu, self.eta, self.chi, self.phi)
+
+    def __str__(self):
+        mu, delta, nu, eta, chi, phi = self.totuple()
+        return ("YouPosition(mu %r delta: %r nu: %r eta: %r chi: %r  phi: %r) in %s"
+                % (mu, delta, nu, eta, chi, phi, self.unit))
+    
+    def __eq__(self, other):
+        return self.totuple() == other.totuple()
+
+
+class WillmottHorizontalPosition(YouPosition):
+
+    def __init__(self, delta=None, gamma=None, omegah=None, phi=None):
+        self.mu = 0
+        self.delta = delta
+        self.nu = gamma
+        self.eta = omegah
+        self.chi = -90
+        self.phi = phi
+        self.unit= 'DEG'