Author: bugman Date: Sat May 24 09:11:48 2014 New Revision: 23394 URL: http://svn.gna.org/viewcvs/relax?rev=23394&view=rev Log: Improved the value setting in the optimisation() method of the CaM frame order system tests. This is in the base script used by all scripts in test_suite/system_tests/scripts/frame_order/cam/. Modified: branches/frame_order_cleanup/test_suite/system_tests/scripts/frame_order/cam/base_script.py Modified: branches/frame_order_cleanup/test_suite/system_tests/scripts/frame_order/cam/base_script.py URL: http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/system_tests/scripts/frame_order/cam/base_script.py?rev=23394&r1=23393&r2=23394&view=diff ============================================================================== --- branches/frame_order_cleanup/test_suite/system_tests/scripts/frame_order/cam/base_script.py (original) +++ branches/frame_order_cleanup/test_suite/system_tests/scripts/frame_order/cam/base_script.py Sat May 24 09:11:48 2014 @@ -26,6 +26,7 @@ from numpy import array, cross, float32, float64, transpose, zeros from numpy.linalg import norm from os import F_OK, access, sep +from string import upper # relax module imports. from data_store import Relax_data_store; ds = Relax_data_store() @@ -159,36 +160,39 @@ if self.NUM_INT_PTS != None: self._execute_uf(uf_name='frame_order.num_int_pts', num=self.NUM_INT_PTS) - # Check the minimum. - if self.MODEL not in ['free rotor', 'iso cone, free rotor']: - if self.AVE_POS_ALPHA != None: - self._execute_uf(uf_name='value.set', val=self.AVE_POS_ALPHA, param='ave_pos_alpha') - if self.AVE_POS_BETA != None: - self._execute_uf(uf_name='value.set', val=self.AVE_POS_BETA, param='ave_pos_beta') - if self.AVE_POS_GAMMA != None: - self._execute_uf(uf_name='value.set', val=self.AVE_POS_GAMMA, param='ave_pos_gamma') - if self.EIGEN_ALPHA != None: - self._execute_uf(uf_name='value.set', val=self.EIGEN_ALPHA, param='eigen_alpha') - if self.EIGEN_BETA != None: - self._execute_uf(uf_name='value.set', val=self.EIGEN_BETA, param='eigen_beta') - if self.EIGEN_GAMMA != None: - self._execute_uf(uf_name='value.set', val=self.EIGEN_GAMMA, param='eigen_gamma') - if self.AXIS_THETA != None: - self._execute_uf(uf_name='value.set', val=self.AXIS_THETA, param='axis_theta') - if self.AXIS_PHI != None: - self._execute_uf(uf_name='value.set', val=self.AXIS_PHI, param='axis_phi') - if self.AXIS_ALPHA != None: - self._execute_uf(uf_name='value.set', val=self.AXIS_ALPHA, param='axis_alpha') - if self.CONE_THETA_X != None: - self._execute_uf(uf_name='value.set', val=self.CONE_THETA_X, param='cone_theta_x') - if self.CONE_THETA_Y != None: - self._execute_uf(uf_name='value.set', val=self.CONE_THETA_Y, param='cone_theta_y') - if self.CONE_THETA != None: - self._execute_uf(uf_name='value.set', val=self.CONE_THETA, param='cone_theta') - if self.CONE_S1 != None: - self._execute_uf(uf_name='value.set', val=self.CONE_S1, param='cone_s1') - if self.CONE_SIGMA_MAX != None: - self._execute_uf(uf_name='value.set', val=self.CONE_SIGMA_MAX, param='cone_sigma_max') + # Set the parameter values. + params = [ + 'ave_pos_x', + 'ave_pos_y', + 'ave_pos_z', + 'ave_pos_alpha', + 'ave_pos_beta', + 'ave_pos_gamma', + 'eigen_alpha', + 'eigen_beta', + 'eigen_gamma', + 'axis_theta', + 'axis_phi', + 'axis_alpha', + 'cone_theta_x', + 'cone_theta_y', + 'cone_theta', + 'cone_s1', + 'cone_sigma_max' + ] + for param in params: + # Variable name. + var_name = upper(param) + + # Not set. + val = getattr(self, var_name) + if val == None: + continue + + # Set the value. + self._execute_uf(uf_name='value.set', val=val, param=param) + + # Calculate and show the chi-squared value. self._execute_uf(uf_name='calc') print("\nchi2: %s" % cdp.chi2)