Class names to CapWords.
Former-commit-id: f61fd0ddf80f5ab38b13935142a7365244497182
This commit is contained in:
Marek Nečada
parent
ff79fb950a
commit
491b795845
108
qpms/qpms_c.pyx
108
qpms/qpms_c.pyx
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@ -636,7 +636,7 @@ def complex_crep(complex c, parentheses = False, shortI = True, has_Imaginary =
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+ (')' if parentheses else '')
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)
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cdef class basespec:
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cdef class BaseSpec:
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'''Cython wrapper over qpms_vswf_set_spec_t.
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It should be kept immutable. The memory is managed by numpy/cython, not directly by the C functions, therefore
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@ -718,9 +718,9 @@ cdef class basespec:
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def __get__(self):
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return self.__ilist
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cdef qpms_vswf_set_spec_t *rawpointer(basespec self):
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cdef qpms_vswf_set_spec_t *rawpointer(BaseSpec self):
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'''Pointer to the qpms_vswf_set_spec_t structure.
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Don't forget to reference the basespec object itself when storing the pointer anywhere!!!
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Don't forget to reference the BaseSpec object itself when storing the pointer anywhere!!!
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'''
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return &(self.s)
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@ -731,7 +731,7 @@ cdef class basespec:
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# Quaternions from wigner.h
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# (mainly for testing; use moble's quaternions in python)
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cdef class cquat:
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cdef class CQuat:
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'''
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Wrapper of the qpms_quat_t object, with the functionality
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to evaluate Wigner D-matrix elements.
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@ -747,40 +747,40 @@ cdef class cquat:
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self.q = qpms_quat_2c_from_4d(p)
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def copy(self):
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res = cquat(0,0,0,0)
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res = CQuat(0,0,0,0)
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res.q = self.q
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return res
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def __repr__(self): # TODO make this look like a quaternion with i,j,k
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return repr(self.r)
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def __add__(cquat self, cquat other):
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def __add__(CQuat self, CQuat other):
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# TODO add real numbers
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res = cquat(0,0,0,0)
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res = CQuat(0,0,0,0)
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res.q = qpms_quat_add(self.q, other.q)
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return res
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def __mul__(self, other):
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res = cquat(0,0,0,0)
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if isinstance(self, cquat):
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if isinstance(other, cquat):
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res = CQuat(0,0,0,0)
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if isinstance(self, CQuat):
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if isinstance(other, CQuat):
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res.q = qpms_quat_mult(self.q, other.q)
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elif isinstance(other, (int, float)):
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res.q = qpms_quat_rscale(other, self.q)
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else: return NotImplemented
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elif isinstance(self, (int, float)):
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if isinstance(other, cquat):
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if isinstance(other, CQuat):
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res.q = qpms_quat_rscale(self, other.q)
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else: return NotImplemented
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return res
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def __neg__(cquat self):
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res = cquat(0,0,0,0)
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def __neg__(CQuat self):
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res = CQuat(0,0,0,0)
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res.q = qpms_quat_rscale(-1, self.q)
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return res
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def __sub__(cquat self, cquat other):
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res = cquat(0,0,0,0)
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def __sub__(CQuat self, CQuat other):
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res = CQuat(0,0,0,0)
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res.q = qpms_quat_add(self.q, qpms_quat_rscale(-1,other.q))
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return res
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@ -794,26 +794,26 @@ cdef class cquat:
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return qpms_quat_imnorm(self.q)
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def exp(self):
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res = cquat(0,0,0,0)
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res = CQuat(0,0,0,0)
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res.q = qpms_quat_exp(self.q)
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return res
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def log(self):
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res = cquat(0,0,0,0)
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res = CQuat(0,0,0,0)
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res.q = qpms_quat_exp(self.q)
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return res
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def __pow__(cquat self, double other, _):
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res = cquat(0,0,0,0)
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def __pow__(CQuat self, double other, _):
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res = CQuat(0,0,0,0)
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res.q = qpms_quat_pow(self.q, other)
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return res
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def normalise(self):
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res = cquat(0,0,0,0)
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res = CQuat(0,0,0,0)
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res.q = qpms_quat_normalise(self.q)
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return res
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def isclose(cquat self, cquat other, rtol=1e-5, atol=1e-8):
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def isclose(CQuat self, CQuat other, rtol=1e-5, atol=1e-8):
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'''
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Checks whether two quaternions are "almost equal".
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'''
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@ -860,7 +860,7 @@ cdef class cquat:
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return 0
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return qpms_wignerD_elem(self.q, l, mp, m)
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cdef class irot3:
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cdef class IRot3:
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'''
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Wrapper over the C type qpms_irot3_t.
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'''
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@ -876,18 +876,18 @@ cdef class irot3:
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self.qd.rot.a = 1
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self.qd.rot.b = 0
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self.qd.det = 1
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elif (len(args) == 2 and isinstance(args[0], cquat) and isinstance(args[1], (int, float))):
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# The original __cinit__(self, cquat q, short det) constructor
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elif (len(args) == 2 and isinstance(args[0], CQuat) and isinstance(args[1], (int, float))):
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# The original __cinit__(self, CQuat q, short det) constructor
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q = args[0]
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det = args[1]
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if (det != 1 and det != -1):
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raise ValueError("Improper rotation determinant has to be 1 or -1")
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self.qd.rot = q.normalise().q
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self.qd.det = det
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elif (len(args) == 1 and isinstance(args[0], irot3)):
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elif (len(args) == 1 and isinstance(args[0], IRot3)):
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# Copy
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self.qd = args[0].qd
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elif (len(args) == 1 and isinstance(args[0], cquat)):
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elif (len(args) == 1 and isinstance(args[0], CQuat)):
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# proper rotation from a quaternion
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q = args[0]
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det = 1
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@ -897,19 +897,19 @@ cdef class irot3:
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raise ValueError('Unsupported constructor arguments')
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def copy(self):
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res = irot3(cquat(1,0,0,0),1)
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res = IRot3(CQuat(1,0,0,0),1)
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res.qd = self.qd
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return res
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property rot:
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'''
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The proper rotation part of the irot3 type.
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The proper rotation part of the IRot3 type.
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'''
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def __get__(self):
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res = cquat(0,0,0,0)
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res = CQuat(0,0,0,0)
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res.q = self.qd.rot
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return res
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def __set__(self, cquat r):
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def __set__(self, CQuat r):
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# TODO check for non-zeroness and throw an exception if norm is zero
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self.qd.rot = r.normalise().q
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@ -934,22 +934,22 @@ cdef class irot3:
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'''
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return '{' + self.rot.crepr() + ', ' + repr(self.det) + '}'
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def __mul__(irot3 self, irot3 other):
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res = irot3(cquat(1,0,0,0), 1)
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res.qd = qpms_irot3_mult(self.qd, other.qd)
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def __mul__(IRot3 self, IRot3 other):
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res = IRot3(CQuat(1,0,0,0), 1)
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res.qd = qpms_IRot3_mult(self.qd, other.qd)
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return res
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def __pow__(irot3 self, n, _):
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def __pow__(IRot3 self, n, _):
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cdef int nint
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if (n % 1 == 0):
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nint = n
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else:
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raise ValueError("The exponent of an irot3 has to have an integer value.")
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res = irot3(cquat(1,0,0,0), 1)
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res.qd = qpms_irot3_pow(self.qd, n)
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raise ValueError("The exponent of an IRot3 has to have an integer value.")
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res = IRot3(CQuat(1,0,0,0), 1)
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res.qd = qpms_IRot3_pow(self.qd, n)
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return res
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def isclose(irot3 self, irot3 other, rtol=1e-5, atol=1e-8):
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def isclose(IRot3 self, IRot3 other, rtol=1e-5, atol=1e-8):
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'''
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Checks whether two (improper) rotations are "almost equal".
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Returns always False if the determinants are different.
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@ -966,59 +966,59 @@ cdef class irot3:
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@staticmethod
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def inversion():
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'''
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Returns an irot3 object representing the 3D spatial inversion.
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Returns an IRot3 object representing the 3D spatial inversion.
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'''
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r = irot3()
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r = IRot3()
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r.det = -1
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return r
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@staticmethod
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def zflip():
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'''
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Returns an irot3 object representing the 3D xy-plane mirror symmetry (z axis sign flip).
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Returns an IRot3 object representing the 3D xy-plane mirror symmetry (z axis sign flip).
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'''
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r = irot3()
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r.rot = cquat(0,0,0,1) # π-rotation around z-axis
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r = IRot3()
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r.rot = CQuat(0,0,0,1) # π-rotation around z-axis
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r.det = -1 # inversion
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return r
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@staticmethod
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def yflip():
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'''
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Returns an irot3 object representing the 3D xz-plane mirror symmetry (y axis sign flip).
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Returns an IRot3 object representing the 3D xz-plane mirror symmetry (y axis sign flip).
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'''
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r = irot3()
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r.rot = cquat(0,0,1,0) # π-rotation around y-axis
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r = IRot3()
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r.rot = CQuat(0,0,1,0) # π-rotation around y-axis
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r.det = -1 # inversion
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return r
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@staticmethod
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def xflip():
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'''
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Returns an irot3 object representing the 3D yz-plane mirror symmetry (x axis sign flip).
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Returns an IRot3 object representing the 3D yz-plane mirror symmetry (x axis sign flip).
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'''
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r = irot3()
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r.rot = cquat(0,1,0,0) # π-rotation around x-axis
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r = IRot3()
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r.rot = CQuat(0,1,0,0) # π-rotation around x-axis
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r.det = -1 # inversion
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return r
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@staticmethod
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def zrotN(int n):
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'''
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Returns an irot3 object representing a \f$ C_n $\f rotation (around the z-axis).
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Returns an IRot3 object representing a \f$ C_n $\f rotation (around the z-axis).
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'''
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r = irot3()
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r.rot = cquat(math.cos(math.pi/n),0,0,math.sin(math.pi/n))
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r = IRot3()
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r.rot = CQuat(math.cos(math.pi/n),0,0,math.sin(math.pi/n))
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return r
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def as_uvswf_matrix(irot3 self, basespec bspec):
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def as_uvswf_matrix(IRot3 self, basespec bspec):
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'''
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Returns the uvswf representation of the current transform as a numpy array
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'''
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cdef ssize_t sz = len(bspec)
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cdef np.ndarray m = np.empty((sz, sz), dtype=complex, order='C') # FIXME explicit dtype
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cdef cdouble[:, ::1] view = m
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qpms_irot3_uvswfi_dense(&view[0,0], bspec.rawpointer(), self.qd)
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qpms_IRot3_uvswfi_dense(&view[0,0], bspec.rawpointer(), self.qd)
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return m
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