1 | import sys, os, math, re |
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2 | import numpy as np |
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3 | import matplotlib.pyplot as plt |
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4 | sys.path.insert(0, os.path.abspath('..')) |
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5 | from sasmodels import generate, core |
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6 | from sasmodels.direct_model import DirectModel |
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7 | from sasmodels.data import empty_data1D, empty_data2D |
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8 | |
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9 | |
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10 | # Convert ../sasmodels/models/name.py to name |
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11 | model_name = os.path.basename(sys.argv[1])[:-3] |
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12 | |
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13 | # Load the doc string from the module definition file and store it in rst |
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14 | docstr = generate.make_doc(core.load_model_info(model_name)) |
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15 | |
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16 | # Generate automatically plot of the model and add it to rst documentation |
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17 | |
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18 | info = core.load_model_info(model_name) |
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19 | |
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20 | # Calculate 1D curve for default parameters |
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21 | pars = dict((p[0], p[2]) for p in info['parameters']) |
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22 | |
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23 | # Plotting ranges and options |
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24 | opts = { |
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25 | 'xscale' : 'log', |
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26 | 'yscale' : 'log' if not info['structure_factor'] else 'linear', |
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27 | 'qmin' : 0.005, |
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28 | 'qmax' : 1.0, |
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29 | 'nq' : 1000, |
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30 | 'nq2d' : 100, |
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31 | } |
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32 | |
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33 | qmin, qmax, nq = opts['qmin'], opts['qmax'], opts['nq'] |
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34 | qmin = math.log10(qmin) |
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35 | qmax = math.log10(qmax) |
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36 | q = np.logspace(qmin, qmax, nq) |
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37 | data = empty_data1D(q) |
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38 | model = core.load_model(model_name) |
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39 | calculator = DirectModel(data, model) |
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40 | Iq1D = calculator() |
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41 | |
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42 | # TO DO: Generation of 2D plots |
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43 | # Problem in sasmodels.direct_model._calc_theory |
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44 | # There self._kernel.q_input.nq gets a value of 0 in the 2D case |
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45 | # and returns a 0 numpy array (it does not call the C code) |
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46 | |
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47 | # If 2D model, compute 2D image |
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48 | #if info['has_2d'] != []: |
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49 | # qmax, nq2d = opts['qmax'], opts['nq2d'] |
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50 | # data2d = empty_data2D(np.linspace(-qmax, qmax, nq2d), resolution=0.0) |
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51 | # #model = core.load_model(model_name) |
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52 | # calculator = DirectModel(data2d, model) |
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53 | # Iq2D = calculator() |
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54 | |
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55 | # Generate image (comment IF for 1D/2D for the moment) and generate only 1D |
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56 | #if info['has_2d'] == []: |
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57 | # fig = plt.figure() |
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58 | # ax = fig.add_subplot(1,1,1) |
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59 | # ax.plot(q, Iq1D, color='blue', lw=2, label=model_name) |
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60 | # ax.set_xlabel(r'$Q \/(\AA^{-1})$') |
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61 | # ax.set_xscale(opts['xscale']) |
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62 | # ax.set_ylabel(r'$I(Q) \/(\mathrm{cm}^{-1})$') |
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63 | # ax.set_yscale(opts['yscale']) |
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64 | # ax.legend() |
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65 | #else: |
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66 | # # need figure with 1D + 2D |
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67 | # pass |
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68 | fig = plt.figure() |
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69 | ax = fig.add_subplot(1,1,1) |
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70 | ax.plot(q, Iq1D, color='blue', lw=2, label=model_name) |
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71 | ax.set_xlabel(r'$Q \/(\AA^{-1})$') |
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72 | ax.set_xscale(opts['xscale']) |
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73 | ax.set_ylabel(r'$I(Q) \/(\mathrm{cm}^{-1})$') |
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74 | ax.set_yscale(opts['yscale']) |
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75 | ax.legend() |
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76 | |
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77 | |
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78 | # Save image in model/img |
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79 | figname = model_name + '_autogenfig.png' |
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80 | filename = os.path.join('model', 'img', figname) |
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81 | plt.savefig(filename) |
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82 | |
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83 | # Auto caption for figure |
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84 | captionstr = '\n' |
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85 | captionstr += '.. figure:: img/' + model_name + '_autogenfig.png\n' |
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86 | captionstr += '\n' |
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87 | #if info['has_2d'] == []: |
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88 | # captionstr += ' 1D plot corresponding to the default parameters of the model.\n' |
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89 | #else: |
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90 | # captionstr += ' 1D and 2D plots corresponding to the default parameters of the model.\n' |
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91 | captionstr += ' 1D plot corresponding to the default parameters of the model.\n' |
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92 | captionstr += '\n' |
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93 | |
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94 | # Add figure reference and caption to documentation (at end, before References) |
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95 | pattern = '\*\*REFERENCE' |
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96 | m = re.search(pattern, docstr.upper()) |
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97 | |
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98 | if m: |
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99 | docstr1 = docstr[:m.start()] |
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100 | docstr2 = docstr[m.start():] |
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101 | docstr = docstr1 + captionstr + docstr2 |
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102 | else: |
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103 | print 'References NOT FOUND for model: ', model_name |
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104 | docstr = docstr + captionstr |
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105 | |
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106 | open(sys.argv[2],'w').write(docstr) |
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