Startup

script/__Lib/diffcalc_old/diffcalc/ub/reference.py

@@ -0,0 +1,99 @@
+from math import pi
+
+try:
+    from numpy import matrix, hstack
+    from numpy.linalg import norm
+except ImportError:
+    from numjy import matrix, hstack
+    from numjy.linalg import norm
+
+
+from math import pi, sin, cos, tan, acos, atan2, asin, sqrt, atan
+
+from diffcalc.util import DiffcalcException, bound, angle_between_vectors
+from diffcalc.util import cross3, z_rotation, x_rotation, dot3
+
+
+
+
+
+SMALL = 1e-7
+TODEG = 180 / pi
+
+
+
+class YouReference(object):
+    
+    def __init__(self, get_UB):
+        self.get_UB = get_UB  # callable
+        self._n_phi_configured = None
+        self._n_hkl_configured = None
+        self._set_n_phi_configured(matrix('0; 0; 1'))
+    
+    def _set_n_phi_configured(self, n_phi):
+        self._n_phi_configured = n_phi
+        self._n_hkl_configured = None
+    
+    def _get_n_phi_configured(self):
+        return self._n_phi_configured
+    
+    n_phi_configured = property(_get_n_phi_configured, _set_n_phi_configured)
+                    
+    def _set_n_hkl_configured(self, n_hkl):
+        self._n_phi_configured = None
+        self._n_hkl_configured = n_hkl
+        
+    def _get_n_hkl_configured(self):
+        return self._n_hkl_configured
+    
+    n_hkl_configured = property(_get_n_hkl_configured, _set_n_hkl_configured)
+    
+    @property
+    def n_phi(self):
+        n_phi = (self.get_UB() * self._n_hkl_configured if self._n_phi_configured is None 
+                 else self._n_phi_configured)
+        return n_phi / norm(n_phi)
+        
+    @property
+    def n_hkl(self):
+        n_hkl = (self.get_UB().I * self._n_phi_configured if self._n_hkl_configured is None
+                  else self._n_hkl_configured) 
+        return n_hkl / norm(n_hkl)
+    
+    def _pretty_vector(self, m):
+        return ' '.join([('% 9.5f' % e).rjust(9) for e in m.T.tolist()[0]])
+    
+    def repr_lines(self, ub_calculated, WIDTH=9):
+        SET_LABEL = ' <- set'
+        lines = []
+        if self._n_phi_configured is not None:
+            nphi_label = SET_LABEL
+            nhkl_label = ''
+        elif self._n_hkl_configured is not None:
+            nphi_label = ''
+            nhkl_label = SET_LABEL
+        else:
+            raise AssertionError("Neither a manual n_phi nor n_hkl is configured")
+        
+        if ub_calculated:
+            lines.append("   n_phi:".ljust(WIDTH) + self._pretty_vector(self.n_phi) + nphi_label)
+            lines.append("   n_hkl:".ljust(WIDTH) + self._pretty_vector(self.n_hkl) + nhkl_label)
+            rotation_axis = cross3(matrix('0; 0; 1'), self.n_phi)
+            if abs(norm(rotation_axis)) < SMALL:
+                lines.append("   miscut:".ljust(WIDTH) + "  None")
+            else:
+                rotation_axis = rotation_axis * (1 / norm(rotation_axis))
+                cos_rotation_angle = dot3(matrix('0; 0; 1'), self.n_phi)
+                rotation_angle = acos(cos_rotation_angle)
+                lines.append("   miscut:")
+                lines.append("      angle:".ljust(WIDTH) + "% 9.5f" % (rotation_angle * TODEG))
+                lines.append("      axis:".ljust(WIDTH) + self._pretty_vector(rotation_axis))
+ 
+        else:  # no ub calculated
+            if self._n_phi_configured is not None:
+                lines.append("   n_phi:".ljust(WIDTH) + self._pretty_vector(self._n_phi_configured) + SET_LABEL)
+            elif self._n_hkl_configured is not None:
+                lines.append("   n_hkl:".ljust(WIDTH) + self._pretty_vector(self._n_hkl_configured) + SET_LABEL)
+
+        return lines
+