[aa4946b] | 1 | """ |
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| 2 | Core model handling routines. |
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| 3 | """ |
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[f734e7d] | 4 | |
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[72a081d] | 5 | from os.path import basename, dirname, join as joinpath, splitext |
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[f734e7d] | 6 | from glob import glob |
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[72a081d] | 7 | import imp |
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[f734e7d] | 8 | |
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| 9 | import numpy as np |
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| 10 | |
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| 11 | from . import models |
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| 12 | from . import weights |
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[aa4946b] | 13 | from . import generate |
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[72a081d] | 14 | # TODO: remove circular references between product and core |
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| 15 | # product uses call_ER/call_VR, core uses make_product_info/ProductModel |
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| 16 | #from . import product |
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| 17 | from . import mixture |
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[aa4946b] | 18 | from . import kernelpy |
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| 19 | from . import kerneldll |
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[f734e7d] | 20 | try: |
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[aa4946b] | 21 | from . import kernelcl |
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| 22 | HAVE_OPENCL = True |
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[3c56da87] | 23 | except: |
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[aa4946b] | 24 | HAVE_OPENCL = False |
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| 25 | |
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[190fc2b] | 26 | __all__ = [ |
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[17bbadd] | 27 | "list_models", "load_model_info", "precompile_dll", |
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| 28 | "build_model", "make_kernel", "call_kernel", "call_ER_VR", |
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[190fc2b] | 29 | ] |
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[f734e7d] | 30 | |
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| 31 | def list_models(): |
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[aa4946b] | 32 | """ |
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| 33 | Return the list of available models on the model path. |
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| 34 | """ |
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[f734e7d] | 35 | root = dirname(__file__) |
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| 36 | files = sorted(glob(joinpath(root, 'models', "[a-zA-Z]*.py"))) |
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| 37 | available_models = [basename(f)[:-3] for f in files] |
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| 38 | return available_models |
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| 39 | |
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[b8e5e21] | 40 | def isstr(s): |
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| 41 | """ |
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| 42 | Return True if *s* is a string-like object. |
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| 43 | """ |
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| 44 | try: s + '' |
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| 45 | except: return False |
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| 46 | return True |
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| 47 | |
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| 48 | def load_model(model_name, **kw): |
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| 49 | """ |
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| 50 | Load model info and build model. |
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| 51 | """ |
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[72a081d] | 52 | return build_model(load_model_info(model_name), **kw) |
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[7b3e62c] | 53 | |
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[72a081d] | 54 | def load_model_info_from_path(path): |
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| 55 | # Pull off the last .ext if it exists; there may be others |
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| 56 | name = basename(splitext(path)[0]) |
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[7b3e62c] | 57 | |
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[72a081d] | 58 | # Not cleaning name since don't need to be able to reload this |
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| 59 | # model later |
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| 60 | # Should probably turf the model from sys.modules after we are done... |
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| 61 | |
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| 62 | # Placing the model in the 'sasmodels.custom' name space, even |
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| 63 | # though it doesn't actually exist. imp.load_source doesn't seem |
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| 64 | # to care. |
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| 65 | kernel_module = imp.load_source('sasmodels.custom.'+name, path) |
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| 66 | |
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| 67 | # Now that we have the module, we can load it as usual |
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| 68 | model_info = generate.make_model_info(kernel_module) |
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| 69 | return model_info |
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[aa4946b] | 70 | |
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[17bbadd] | 71 | def load_model_info(model_name): |
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[aa4946b] | 72 | """ |
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| 73 | Load a model definition given the model name. |
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[1d4017a] | 74 | |
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| 75 | This returns a handle to the module defining the model. This can be |
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| 76 | used with functions in generate to build the docs or extract model info. |
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[aa4946b] | 77 | """ |
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[72a081d] | 78 | parts = model_name.split('+') |
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| 79 | if len(parts) > 1: |
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| 80 | model_info_list = [load_model_info(p) for p in parts] |
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| 81 | return mixture.make_mixture_info(model_info_list) |
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| 82 | |
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| 83 | parts = model_name.split('*') |
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| 84 | if len(parts) > 1: |
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| 85 | from . import product |
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| 86 | # Note: currently have circular reference |
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| 87 | if len(parts) > 2: |
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| 88 | raise ValueError("use P*S to apply structure factor S to model P") |
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| 89 | P_info, Q_info = [load_model_info(p) for p in parts] |
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| 90 | return product.make_product_info(P_info, Q_info) |
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| 91 | |
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[7b3e62c] | 92 | #import sys; print "\n".join(sys.path) |
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[f734e7d] | 93 | __import__('sasmodels.models.'+model_name) |
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[17bbadd] | 94 | kernel_module = getattr(models, model_name, None) |
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| 95 | return generate.make_model_info(kernel_module) |
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[f734e7d] | 96 | |
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[aa4946b] | 97 | |
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[17bbadd] | 98 | def build_model(model_info, dtype=None, platform="ocl"): |
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[aa4946b] | 99 | """ |
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| 100 | Prepare the model for the default execution platform. |
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| 101 | |
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| 102 | This will return an OpenCL model, a DLL model or a python model depending |
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| 103 | on the model and the computing platform. |
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| 104 | |
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[17bbadd] | 105 | *model_info* is the model definition structure returned from |
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| 106 | :func:`load_model_info`. |
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[bcd3aa3] | 107 | |
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[aa4946b] | 108 | *dtype* indicates whether the model should use single or double precision |
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| 109 | for the calculation. Any valid numpy single or double precision identifier |
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| 110 | is valid, such as 'single', 'f', 'f32', or np.float32 for single, or |
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[d18582e] | 111 | 'double', 'd', 'f64' and np.float64 for double. If *None*, then use |
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| 112 | 'single' unless the model defines single=False. |
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[aa4946b] | 113 | |
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| 114 | *platform* should be "dll" to force the dll to be used for C models, |
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| 115 | otherwise it uses the default "ocl". |
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| 116 | """ |
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[72a081d] | 117 | composition = model_info.get('composition', None) |
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| 118 | if composition is not None: |
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| 119 | composition_type, parts = composition |
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| 120 | models = [build_model(p, dtype=dtype, platform=platform) for p in parts] |
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| 121 | if composition_type == 'mixture': |
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| 122 | return mixture.MixtureModel(model_info, models) |
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| 123 | elif composition_type == 'product': |
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| 124 | from . import product |
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[e79f0a5] | 125 | P, S = models |
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[72a081d] | 126 | return product.ProductModel(model_info, P, S) |
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| 127 | else: |
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| 128 | raise ValueError('unknown mixture type %s'%composition_type) |
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[aa4946b] | 129 | |
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| 130 | ## for debugging: |
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| 131 | ## 1. uncomment open().write so that the source will be saved next time |
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| 132 | ## 2. run "python -m sasmodels.direct_model $MODELNAME" to save the source |
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| 133 | ## 3. recomment the open.write() and uncomment open().read() |
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| 134 | ## 4. rerun "python -m sasmodels.direct_model $MODELNAME" |
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| 135 | ## 5. uncomment open().read() so that source will be regenerated from model |
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[17bbadd] | 136 | # open(model_info['name']+'.c','w').write(source) |
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| 137 | # source = open(model_info['name']+'.cl','r').read() |
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[72a081d] | 138 | source = generate.make_source(model_info) |
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| 139 | if dtype is None: |
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| 140 | dtype = 'single' if model_info['single'] else 'double' |
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| 141 | if callable(model_info.get('Iq', None)): |
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| 142 | return kernelpy.PyModel(model_info) |
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[d15a908] | 143 | if (platform == "dll" |
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[aa4946b] | 144 | or not HAVE_OPENCL |
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[5d316e9] | 145 | or not kernelcl.environment().has_type(dtype)): |
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[17bbadd] | 146 | return kerneldll.load_dll(source, model_info, dtype) |
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[aa4946b] | 147 | else: |
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[17bbadd] | 148 | return kernelcl.GpuModel(source, model_info, dtype) |
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[aa4946b] | 149 | |
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[b8e5e21] | 150 | def precompile_dll(model_name, dtype="double"): |
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| 151 | """ |
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| 152 | Precompile the dll for a model. |
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| 153 | |
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| 154 | Returns the path to the compiled model, or None if the model is a pure |
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| 155 | python model. |
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| 156 | |
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| 157 | This can be used when build the windows distribution of sasmodels |
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| 158 | (which may be missing the OpenCL driver and the dll compiler), or |
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| 159 | otherwise sharing models with windows users who do not have a compiler. |
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| 160 | |
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| 161 | See :func:`sasmodels.kerneldll.make_dll` for details on controlling the |
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| 162 | dll path and the allowed floating point precision. |
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| 163 | """ |
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| 164 | model_info = load_model_info(model_name) |
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| 165 | source = generate.make_source(model_info) |
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| 166 | return kerneldll.make_dll(source, model_info, dtype=dtype) if source else None |
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| 167 | |
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| 168 | |
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[f734e7d] | 169 | def make_kernel(model, q_vectors): |
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| 170 | """ |
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| 171 | Return a computation kernel from the model definition and the q input. |
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| 172 | """ |
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[eafc9fa] | 173 | return model(q_vectors) |
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[f734e7d] | 174 | |
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[17bbadd] | 175 | def get_weights(model_info, pars, name): |
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[f734e7d] | 176 | """ |
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| 177 | Generate the distribution for parameter *name* given the parameter values |
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| 178 | in *pars*. |
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| 179 | |
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[aa4946b] | 180 | Uses "name", "name_pd", "name_pd_type", "name_pd_n", "name_pd_sigma" |
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| 181 | from the *pars* dictionary for parameter value and parameter dispersion. |
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[f734e7d] | 182 | """ |
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[17bbadd] | 183 | relative = name in model_info['partype']['pd-rel'] |
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| 184 | limits = model_info['limits'][name] |
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[f734e7d] | 185 | disperser = pars.get(name+'_pd_type', 'gaussian') |
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[17bbadd] | 186 | value = pars.get(name, model_info['defaults'][name]) |
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[f734e7d] | 187 | npts = pars.get(name+'_pd_n', 0) |
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| 188 | width = pars.get(name+'_pd', 0.0) |
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| 189 | nsigma = pars.get(name+'_pd_nsigma', 3.0) |
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[d15a908] | 190 | value, weight = weights.get_weights( |
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[7cf2cfd] | 191 | disperser, npts, width, nsigma, value, limits, relative) |
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| 192 | return value, weight / np.sum(weight) |
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[f734e7d] | 193 | |
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[9890053] | 194 | def dispersion_mesh(pars): |
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| 195 | """ |
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| 196 | Create a mesh grid of dispersion parameters and weights. |
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| 197 | |
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| 198 | Returns [p1,p2,...],w where pj is a vector of values for parameter j |
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| 199 | and w is a vector containing the products for weights for each |
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| 200 | parameter set in the vector. |
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| 201 | """ |
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[3c56da87] | 202 | value, weight = zip(*pars) |
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[d5ba841] | 203 | value = [v.flatten() for v in np.meshgrid(*value)] |
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| 204 | weight = np.vstack([v.flatten() for v in np.meshgrid(*weight)]) |
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| 205 | weight = np.prod(weight, axis=0) |
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[3c56da87] | 206 | return value, weight |
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[9890053] | 207 | |
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[02e70ff] | 208 | def call_kernel(kernel, pars, cutoff=0, mono=False): |
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[aa4946b] | 209 | """ |
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| 210 | Call *kernel* returned from :func:`make_kernel` with parameters *pars*. |
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| 211 | |
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| 212 | *cutoff* is the limiting value for the product of dispersion weights used |
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| 213 | to perform the multidimensional dispersion calculation more quickly at a |
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| 214 | slight cost to accuracy. The default value of *cutoff=0* integrates over |
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| 215 | the entire dispersion cube. Using *cutoff=1e-5* can be 50% faster, but |
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| 216 | with an error of about 1%, which is usually less than the measurement |
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| 217 | uncertainty. |
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[cf52f9c] | 218 | |
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| 219 | *mono* is True if polydispersity should be set to none on all parameters. |
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[aa4946b] | 220 | """ |
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[f734e7d] | 221 | fixed_pars = [pars.get(name, kernel.info['defaults'][name]) |
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| 222 | for name in kernel.fixed_pars] |
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[02e70ff] | 223 | if mono: |
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| 224 | pd_pars = [( np.array([pars[name]]), np.array([1.0]) ) |
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| 225 | for name in kernel.pd_pars] |
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| 226 | else: |
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| 227 | pd_pars = [get_weights(kernel.info, pars, name) for name in kernel.pd_pars] |
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[f734e7d] | 228 | return kernel(fixed_pars, pd_pars, cutoff=cutoff) |
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| 229 | |
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[17bbadd] | 230 | def call_ER_VR(model_info, vol_pars): |
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| 231 | """ |
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| 232 | Return effect radius and volume ratio for the model. |
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| 233 | |
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| 234 | *info* is either *kernel.info* for *kernel=make_kernel(model,q)* |
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| 235 | or *model.info*. |
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| 236 | |
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| 237 | *pars* are the parameters as expected by :func:`call_kernel`. |
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| 238 | """ |
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| 239 | ER = model_info.get('ER', None) |
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| 240 | VR = model_info.get('VR', None) |
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| 241 | value, weight = dispersion_mesh(vol_pars) |
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| 242 | |
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| 243 | individual_radii = ER(*value) if ER else 1.0 |
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| 244 | whole, part = VR(*value) if VR else (1.0, 1.0) |
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| 245 | |
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| 246 | effect_radius = np.sum(weight*individual_radii) / np.sum(weight) |
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| 247 | volume_ratio = np.sum(weight*part)/np.sum(weight*whole) |
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| 248 | return effect_radius, volume_ratio |
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| 249 | |
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| 250 | |
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[3c56da87] | 251 | def call_ER(info, pars): |
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[aa4946b] | 252 | """ |
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| 253 | Call the model ER function using *pars*. |
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| 254 | *info* is either *model.info* if you have a loaded model, or *kernel.info* |
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| 255 | if you have a model kernel prepared for evaluation. |
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| 256 | """ |
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[3c56da87] | 257 | ER = info.get('ER', None) |
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[9890053] | 258 | if ER is None: |
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| 259 | return 1.0 |
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| 260 | else: |
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[3c56da87] | 261 | vol_pars = [get_weights(info, pars, name) |
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| 262 | for name in info['partype']['volume']] |
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| 263 | value, weight = dispersion_mesh(vol_pars) |
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| 264 | individual_radii = ER(*value) |
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[9404dd3] | 265 | #print(values[0].shape, weights.shape, fv.shape) |
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[3c56da87] | 266 | return np.sum(weight*individual_radii) / np.sum(weight) |
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[9890053] | 267 | |
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[3c56da87] | 268 | def call_VR(info, pars): |
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[aa4946b] | 269 | """ |
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| 270 | Call the model VR function using *pars*. |
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| 271 | *info* is either *model.info* if you have a loaded model, or *kernel.info* |
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| 272 | if you have a model kernel prepared for evaluation. |
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| 273 | """ |
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[3c56da87] | 274 | VR = info.get('VR', None) |
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[9890053] | 275 | if VR is None: |
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| 276 | return 1.0 |
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| 277 | else: |
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[3c56da87] | 278 | vol_pars = [get_weights(info, pars, name) |
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| 279 | for name in info['partype']['volume']] |
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| 280 | value, weight = dispersion_mesh(vol_pars) |
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[d15a908] | 281 | whole, part = VR(*value) |
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[3c56da87] | 282 | return np.sum(weight*part)/np.sum(weight*whole) |
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[9890053] | 283 | |
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[17bbadd] | 284 | # TODO: remove call_ER, call_VR |
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| 285 | |
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