""" pygl/Quat.py: CCP4MG Molecular Graphics Program Copyright (C) 2001-2005 University of York, CCLRC This library is free software: you can redistribute it and/or modify it under the terms of the GNU Lesser General Public License version 3, modified in accordance with the provisions of the license to address the requirements of UK law. You should have received a copy of the modified GNU Lesser General Public License along with this library. If not, copies may be downloaded from http://www.ccp4.ac.uk/ccp4license.php This program 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 Lesser General Public License for more details. """ from math import * import util PI = 3.141592653589793238462643 RAD_TO_DEG = 180.0 / PI DEG_TO_RAD = PI / 180 class Quat: """ Quaternion class """ def rotate_about_axes(self,xaxis,yaxis,zaxis,drot): rotx = Quat(xaxis[0],xaxis[1],xaxis[2],1,drot[0]) roty = Quat(yaxis[0],yaxis[1],yaxis[2],1,drot[1]) rotz = Quat(zaxis[0],zaxis[1],zaxis[2],1,drot[2]) self.postMult(rotx) self.postMult(roty) self.postMult(rotz) def __init__(self,x=0,y=0,z=0,wi=-1,angle=0): """ Constructor, specify wi=0 for build with x,y,z and wi = 1 for x,y,z,angle """ self.dval = [ 1.0, 0.0, 0.0, 0.0 ] if wi == 0: self.set(x,y,z) if wi == 1: self.seta(angle,x,y,z) def reset(self): """ Reset to unit rotation. """ self.dval = [ 1.0, 0.0, 0.0, 0.0 ] def set(self,x,y,z): """ Set to given rotations about x,y and z axes. """ xQ = Quat(1.0, 0.0, 0.0, wi=1, angle=x) yQ = Quat(0.0, 1.0, 0.0, wi=1, angle=y) zQ = Quat(0.0, 0.0, 1.0, wi=1, angle=z) self.setq(xQ) self.postMult(yQ) self.postMult(zQ) def setq(self,qfrom): """ Copy dval from other quaternion. This should be used where we currently have dodginess in MG. """ self.dval = qfrom.dval def seta(self,angle,x,y,z): """ Set rotation angle about specified axis. """ angle = angle * DEG_TO_RAD radius = sqrt(x*x + y*y +z*z) if radius < 0.000000001: print "zero length in Quat norm" x = x / radius y = y / radius z = z / radius self.dval[0] = cos(angle/2.0) self.dval[1] = x*sin(angle/2.0) self.dval[2] = y*sin(angle/2.0) self.dval[3] = z*sin(angle/2.0) def postMult(self,q): """ Post-multiply by another quaternion. """ temp = Quat() temp.dval = [] temp.dval.extend(self.dval) self.multAndSet(temp,q) def multAndSet(self,quat1,quat2): """ Set self to be product of quat1 and quat2. """ self.dval[0] = quat2.dval[0] * quat1.dval[0] - quat2.dval[1] * quat1.dval[1] \ - quat2.dval[2] * quat1.dval[2] \ - quat2.dval[3] * quat1.dval[3] self.dval[1] = quat2.dval[0] * quat1.dval[1] + quat2.dval[1] * quat1.dval[0] \ + quat2.dval[2] * quat1.dval[3] \ - quat2.dval[3] * quat1.dval[2] self.dval[2] = quat2.dval[0] * quat1.dval[2] - quat2.dval[1] * quat1.dval[3] \ + quat2.dval[2] * quat1.dval[0] \ + quat2.dval[3] * quat1.dval[1] self.dval[3] = quat2.dval[0] * quat1.dval[3] + quat2.dval[1] * quat1.dval[2] \ - quat2.dval[2] * quat1.dval[1] \ + quat2.dval[3] * quat1.dval[0] def normalize(self): """ Normailze the dvals. """ self.dval = util.normalize(self.dval) def getInvMatrix(self): self.normalize() quat = Quat() quat.dval = [] quat.dval.append(self.dval[0]) quat.dval.append(-self.dval[1]) quat.dval.append(-self.dval[2]) quat.dval.append(-self.dval[3]) return quat.getMatrix() def getInvMatrix_c(self): self.normalize() quat = Quat() quat.dval = [] quat.dval.append(self.dval[0]) quat.dval.append(-self.dval[1]) quat.dval.append(-self.dval[2]) quat.dval.append(-self.dval[3]) return quat.getMatrix_c() def getMatrix(self): """ Return the rotation matrix. """ self.normalize() w = self.dval[0] x = self.dval[1] y = self.dval[2] z = self.dval[3] xx = x*x yy = y*y zz = z*z M = [ [], [], [], [] ] M[0].append( 1.0 - 2.0 * ( yy + zz )) M[1].append( 2.0 * ( x * y + w * z )) M[2].append( 2.0 * ( x * z - w * y )) M[3].append( 0.0) M[0].append( 2.0 * ( x * y - w * z )) M[1].append( 1.0 - 2.0 * ( xx + zz )) M[2].append( 2.0 * ( y * z + w * x )) M[3].append( 0.0) M[0].append( 2.0 * ( x * z + w * y )) M[1].append( 2.0 * ( y * z - w * x )) M[2].append( 1.0 - 2.0 * ( xx + yy )) M[3].append( 0.0) M[0].append( 0.0) M[1].append( 0.0) M[2].append( 0.0) M[3].append( 1.0) return M def getMatrix_c(self): import point_funcs cmat = point_funcs.doublea(16) M = self.getMatrix() cmat[0] = M[0][0] cmat[1] = M[1][0] cmat[2] = M[2][0] cmat[3] = M[3][0] cmat[4] = M[0][1] cmat[5] = M[1][1] cmat[6] = M[2][1] cmat[7] = M[3][1] cmat[8] = M[0][2] cmat[9] = M[1][2] cmat[10] = M[2][2] cmat[11] = M[3][2] cmat[12] = M[0][3] cmat[13] = M[1][3] cmat[14] = M[2][3] cmat[15] = M[3][3] return cmat