from __future__ import print_function if __name__ == "__main__": from sasModeling.iqPy import iqPy #from sasModeling.analmodelpy import analmodelpy as analmodelpymodule from sasModeling.geoshapespy import geoshapespy from sasModeling.pointsmodelpy import pointsmodelpy # print "copyright information:" # print " ", pointsmodelpy.copyright() # print " ", pointsmodelpymodule.copyright() print() print("module information:") print(" file:", pointsmodelpy.__file__) print(" doc:", pointsmodelpy.__doc__) print(" contents:", dir(pointsmodelpy)) print(" contents:", dir(geoshapespy)) # a = geoshapespy.new_singlehelix(10,2,30,2) #a = geoshapespy.new_sphere(20) iq = iqPy.new_iq(100,0.001, 0.3) # geoshapespy.set_orientation(a,20,40,60) # geoshapespy.set_center(a,0,0,0) lm = pointsmodelpy.new_loresmodel(0.1) # pointsmodelpy.lores_add(lm,a,1.0) # b = geoshapespy.new_sphere(15) # geoshapespy.set_center(b,15,15,15) # pointsmodelpy.lores_add(lm,b,2.0) c = geoshapespy.new_cylinder(10,40) geoshapespy.set_center(c,1,1,1) geoshapespy.set_orientation(c,0,0,0) pointsmodelpy.lores_add(lm,c,3.0) # d = geoshapespy.new_ellipsoid(10,8,6) # geoshapespy.set_center(d,3,3,3) # geoshapespy.set_orientation(c,30,30,30) # pointsmodelpy.lores_add(lm,d,1.0) vp = pointsmodelpy.new_point3dvec() pointsmodelpy.get_lorespoints(lm,vp) pointsmodelpy.outputPDB(lm,vp,"modelpy.pseudo.pdb") print("calculating distance distribution") rmax = pointsmodelpy.get_lores_pr(lm,vp) print("finish calculating get_lores_pr, and rmax is:", rmax) pointsmodelpy.outputPR(lm,"testlores.pr") pointsmodelpy.get_lores_iq(lm,iq) iqPy.OutputIQ(iq, "testlores.iq") print("Testing get I from a single q") result = pointsmodelpy.get_lores_i(lm,0.1) print("The I(0.1) is: %s" % str(result)) # version __id__ = "$Id$" # End of file