from __future__ import division,print_function
import numpy as np
from numpy import sin,cos

class Triclinic(object):
  def __init__(self,a=1,b=1,c=1,alpha=90,beta=90,gamma=90):
    self.a = a
    self.b = b
    self.c = c
    alpha  = alpha*np.pi/180
    beta   = beta*np.pi/180
    gamma  = gamma*np.pi/180
    self.alpha = alpha
    self.beta  = beta 
    self.gamma = gamma

    self._s11 = b**2 * c**2 * sin(alpha)**2
    self._s22 = a**2 * c**2 * sin(beta)**2
    self._s33 = a**2 * b**2 * sin(gamma)**2
    self._s12 = a*b*c**2*(cos(alpha) * cos(beta) - cos(gamma))
    self._s23 = a**2*b*c*(cos(beta) * cos(gamma) - cos(alpha))
    self._s13 = a*b**2*c*(cos(gamma) * cos(alpha) - cos(beta))
    self.V    = (a*b*c)*np.sqrt(1-cos(alpha)**2 - cos(beta)**2 - cos(gamma)**2 + 2*cos(alpha)*cos(beta)*cos(gamma))

  def __call__(self,h,k,l):  return self.q(h,k,l)

  def d(self,h,k,l):
    temp = self._s11*h**2 + \
           self._s22*k**2 + \
           self._s33*l**2 + \
           2*self._s12*h*k+ \
           2*self._s23*k*l+ \
           2*self._s13*h*l
    d    = self.V/np.sqrt(temp)
    return d

  def q(self,h,k,l):
    return 2*np.pi/self.d(h,k,l)

class Orthorombic(Triclinic):
  def __init__(self,a=1,b=1,c=1):
    Triclinic.__init__(self,a=a,b=b,c=c,alpha=90,beta=90,gamma=90)

class Monoclinic(object):
  def __init__(self,a=1,b=1,c=1,beta=90.):
    self.a = a
    self.b = b
    self.c = c
    beta   = beta/np.pi*180
    self.beta = beta

    self.V    = (a*b*c)

  def __call__(self,h,k,l):  return self.Q(h,k,l)

  def Q(self,h,k,l):
    temp = h**2/self.a**2 + (k*sin(self.beta))**2/self.b**2+l**2/self.c**2+2*h*l*cos(self.beta)/self.a/self.c
    d    = 1/np.sqrt(temp)
    print(d)
    return 2*np.pi/d



ti3o5_lambda = Triclinic(a = 9.83776, b = 3.78674, c = 9.97069, beta = 91.2567)
ti3o5_beta   = Triclinic(a = 9.7382 , b = 3.8005 , c = 9.4333 , beta = 91.496)
#ti3o5_beta   = Monoclinic(a = 9.7382 , b = 3.8005 , c = 9.4333 , beta = 91.496)
ti3o5_alpha  = Triclinic(a = 9.8372,  b = 3.7921,  c = 9.9717)
#ti3o5_alpha1  = Orthorombic(a = 9.8372,  b = 3.7921,  c = 9.9717)