| 1 | from sans_extension.prototypes.c_models import CCanvas |
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| 2 | from sans.models.SphereModel import SphereModel |
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| 3 | from sans.models.CoreShellModel import CoreShellModel |
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| 4 | |
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| 5 | import math |
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| 6 | |
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| 7 | # Sphere ############################### |
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| 8 | sphere = SphereModel() |
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| 9 | sphere.setParam('radius',40.0) |
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| 10 | sphere.setParam('contrast',1.0) |
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| 11 | sphere.setParam('scale',1.0) |
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| 12 | sphere.setParam('background',0.0) |
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| 13 | |
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| 14 | can = CCanvas() |
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| 15 | |
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| 16 | print "ID", can.add() |
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| 17 | can.setParam(0,1,40.0) |
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| 18 | |
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| 19 | |
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| 20 | for q in [1,0.1,0.05,0.02,0.01,0.001,0.0001]: |
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| 21 | ana = sphere.run([q,1.0]) |
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| 22 | sim = can.evaluate([q,1.0]) |
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| 23 | |
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| 24 | print "Sphere: ANA = %g SIM = %g (%g)" %(ana, sim, sim/ana) |
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| 25 | |
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| 26 | |
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| 27 | |
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| 28 | |
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| 29 | # Core-shell ########################### |
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| 30 | # This is a core shell model where the weight-average |
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| 31 | # of the SLDs is zero. The I(q) should go to zero as q->0. |
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| 32 | |
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| 33 | import time |
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| 34 | t_0 = time.time() |
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| 35 | |
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| 36 | sphere = CoreShellModel() |
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| 37 | # Core radius |
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| 38 | radius = 10.0 |
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| 39 | thickness = 5.0 |
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| 40 | sphere.setParam('radius', radius) |
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| 41 | # Shell thickness |
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| 42 | sphere.setParam('thickness', thickness) |
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| 43 | sphere.setParam('core_sld', 1.0) |
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| 44 | |
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| 45 | core_vol = 4.0/3.0*math.pi*radius*radius*radius |
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| 46 | outer_radius = radius+thickness |
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| 47 | shell_vol = 4.0/3.0*math.pi*outer_radius*outer_radius*outer_radius - core_vol |
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| 48 | shell_sld = -1.0*core_vol/shell_vol |
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| 49 | print "Shell SLD", shell_sld |
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| 50 | |
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| 51 | sphere.setParam('shell_sld', shell_sld) |
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| 52 | sphere.setParam('solvent_sld',0.0) |
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| 53 | sphere.setParam('background',0.0) |
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| 54 | sphere.setParam('scale',1.0) |
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| 55 | |
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| 56 | can = CCanvas() |
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| 57 | |
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| 58 | print "ID", can.add() |
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| 59 | can.setParam(0,1, outer_radius) |
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| 60 | can.setParam(0,2, shell_sld) |
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| 61 | |
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| 62 | |
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| 63 | print "ID", can.add() |
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| 64 | can.setParam(1,1, radius) |
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| 65 | can.setParam(1,2, 1.0) |
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| 66 | |
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| 67 | print "VOLS inner = %g, outer = %g, shell = %g" % (core_vol, shell_vol+core_vol, shell_vol) |
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| 68 | |
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| 69 | f = open('core-shell.txt','w') |
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| 70 | f.write("<q_cs> <ans_cs> <sim_cs>\n") |
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| 71 | for q in [1,0.1,0.05,0.04,0.03,0.02,0.01,0.005,0.001,0.0001]: |
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| 72 | #for i in range(400): |
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| 73 | #q = 0.0001+i*0.005 |
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| 74 | ana = sphere.run([q,1.0]) |
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| 75 | sim = can.evaluate([q,1.0]) |
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| 76 | f.write("%g %g %g\n" %(q, ana, sim)) |
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| 77 | print "Core-shell: q=%g ANA = %g SIM = %g (%g)" %(q, ana, sim, sim/ana) |
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| 78 | |
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| 79 | f.close() |
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| 80 | |
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| 81 | |
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| 82 | print "Time: ", time.time()-t_0 |
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