| 1 | if __name__ == "__main__": |
|---|
| 2 | |
|---|
| 3 | from sasModeling.iqPy import iqPy |
|---|
| 4 | #from sasModeling.analmodelpy import analmodelpy as analmodelpymodule |
|---|
| 5 | from sasModeling.geoshapespy import geoshapespy |
|---|
| 6 | from sasModeling.pointsmodelpy import pointsmodelpy |
|---|
| 7 | |
|---|
| 8 | # print "copyright information:" |
|---|
| 9 | # print " ", pointsmodelpy.copyright() |
|---|
| 10 | # print " ", pointsmodelpymodule.copyright() |
|---|
| 11 | |
|---|
| 12 | print() |
|---|
| 13 | print("module information:") |
|---|
| 14 | print(" file:", pointsmodelpy.__file__) |
|---|
| 15 | print(" doc:", pointsmodelpy.__doc__) |
|---|
| 16 | print(" contents:", dir(pointsmodelpy)) |
|---|
| 17 | print(" contents:", dir(geoshapespy)) |
|---|
| 18 | |
|---|
| 19 | # a = geoshapespy.new_singlehelix(10,2,30,2) |
|---|
| 20 | #a = geoshapespy.new_sphere(20) |
|---|
| 21 | |
|---|
| 22 | iq = iqPy.new_iq(100,0.001, 0.3) |
|---|
| 23 | |
|---|
| 24 | # geoshapespy.set_orientation(a,20,40,60) |
|---|
| 25 | # geoshapespy.set_center(a,0,0,0) |
|---|
| 26 | lm = pointsmodelpy.new_loresmodel(0.1) |
|---|
| 27 | # pointsmodelpy.lores_add(lm,a,1.0) |
|---|
| 28 | |
|---|
| 29 | # b = geoshapespy.new_sphere(15) |
|---|
| 30 | # geoshapespy.set_center(b,15,15,15) |
|---|
| 31 | # pointsmodelpy.lores_add(lm,b,2.0) |
|---|
| 32 | |
|---|
| 33 | |
|---|
| 34 | c = geoshapespy.new_cylinder(10,40) |
|---|
| 35 | geoshapespy.set_center(c,1,1,1) |
|---|
| 36 | geoshapespy.set_orientation(c,0,0,0) |
|---|
| 37 | pointsmodelpy.lores_add(lm,c,3.0) |
|---|
| 38 | |
|---|
| 39 | # d = geoshapespy.new_ellipsoid(10,8,6) |
|---|
| 40 | # geoshapespy.set_center(d,3,3,3) |
|---|
| 41 | # geoshapespy.set_orientation(c,30,30,30) |
|---|
| 42 | # pointsmodelpy.lores_add(lm,d,1.0) |
|---|
| 43 | |
|---|
| 44 | vp = pointsmodelpy.new_point3dvec() |
|---|
| 45 | pointsmodelpy.get_lorespoints(lm,vp) |
|---|
| 46 | pointsmodelpy.outputPDB(lm,vp,"modelpy.pseudo.pdb") |
|---|
| 47 | |
|---|
| 48 | print("calculating distance distribution") |
|---|
| 49 | rmax = pointsmodelpy.get_lores_pr(lm,vp) |
|---|
| 50 | print("finish calculating get_lores_pr, and rmax is:", rmax) |
|---|
| 51 | pointsmodelpy.outputPR(lm,"testlores.pr") |
|---|
| 52 | pointsmodelpy.get_lores_iq(lm,iq) |
|---|
| 53 | |
|---|
| 54 | iqPy.OutputIQ(iq, "testlores.iq") |
|---|
| 55 | |
|---|
| 56 | print("Testing get I from a single q") |
|---|
| 57 | result = pointsmodelpy.get_lores_i(lm,0.1) |
|---|
| 58 | print("The I(0.1) is: %s" % str(result)) |
|---|
| 59 | |
|---|
| 60 | # version |
|---|
| 61 | __id__ = "$Id$" |
|---|
| 62 | |
|---|
| 63 | # End of file |
|---|
