| 1 | from __future__ import print_function |
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| 2 | |
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| 3 | |
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| 4 | if __name__ == "__main__": |
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| 5 | |
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| 6 | from sasModeling.iqPy import iqPy |
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| 7 | #from sasModeling.analmodelpy import analmodelpy as analmodelpymodule |
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| 8 | from sasModeling.geoshapespy import geoshapespy |
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| 9 | from sasModeling.pointsmodelpy import pointsmodelpy |
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| 10 | |
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| 11 | # print "copyright information:" |
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| 12 | # print " ", pointsmodelpy.copyright() |
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| 13 | # print " ", pointsmodelpymodule.copyright() |
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| 14 | |
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| 15 | print() |
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| 16 | print("module information:") |
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| 17 | print(" file:", pointsmodelpy.__file__) |
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| 18 | print(" doc:", pointsmodelpy.__doc__) |
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| 19 | print(" contents:", dir(pointsmodelpy)) |
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| 20 | print(" contents:", dir(geoshapespy)) |
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| 21 | |
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| 22 | # a = geoshapespy.new_singlehelix(10,2,30,2) |
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| 23 | #a = geoshapespy.new_sphere(20) |
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| 24 | |
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| 25 | iq = iqPy.new_iq(100,0.001, 0.3) |
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| 26 | |
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| 27 | # geoshapespy.set_orientation(a,20,40,60) |
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| 28 | # geoshapespy.set_center(a,0,0,0) |
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| 29 | lm = pointsmodelpy.new_loresmodel(0.1) |
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| 30 | # pointsmodelpy.lores_add(lm,a,1.0) |
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| 31 | |
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| 32 | # b = geoshapespy.new_sphere(15) |
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| 33 | # geoshapespy.set_center(b,15,15,15) |
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| 34 | # pointsmodelpy.lores_add(lm,b,2.0) |
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| 35 | |
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| 36 | |
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| 37 | c = geoshapespy.new_cylinder(10,40) |
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| 38 | geoshapespy.set_center(c,1,1,1) |
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| 39 | geoshapespy.set_orientation(c,0,0,0) |
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| 40 | pointsmodelpy.lores_add(lm,c,3.0) |
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| 41 | |
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| 42 | # d = geoshapespy.new_ellipsoid(10,8,6) |
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| 43 | # geoshapespy.set_center(d,3,3,3) |
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| 44 | # geoshapespy.set_orientation(c,30,30,30) |
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| 45 | # pointsmodelpy.lores_add(lm,d,1.0) |
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| 46 | |
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| 47 | vp = pointsmodelpy.new_point3dvec() |
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| 48 | pointsmodelpy.get_lorespoints(lm,vp) |
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| 49 | pointsmodelpy.outputPDB(lm,vp,"modelpy.pseudo.pdb") |
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| 50 | |
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| 51 | print("calculating distance distribution") |
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| 52 | rmax = pointsmodelpy.get_lores_pr(lm,vp) |
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| 53 | print("finish calculating get_lores_pr, and rmax is:", rmax) |
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| 54 | pointsmodelpy.outputPR(lm,"testlores.pr") |
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| 55 | pointsmodelpy.get_lores_iq(lm,iq) |
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| 56 | |
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| 57 | iqPy.OutputIQ(iq, "testlores.iq") |
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| 58 | |
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| 59 | print("Testing get I from a single q") |
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| 60 | result = pointsmodelpy.get_lores_i(lm,0.1) |
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| 61 | print("The I(0.1) is: %s" % str(result)) |
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| 62 | |
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| 63 | # version |
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| 64 | __id__ = "$Id$" |
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| 65 | |
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| 66 | # End of file |
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