From 407d482e9fed21ce46017f3dbcd9ead77f059f7c Mon Sep 17 00:00:00 2001 From: hrocho Date: Mon, 22 Jan 2018 19:36:50 +0100 Subject: [PATCH] ls calculation --- calculations.cpp | 4 +- catima.pyx | 6 + catimac.pxd | 2 + examples/ls_coefficients.cpp | 22 +- generated_LS_coeff.h | 865 +++++++++++++++++------------------ tests/test.py | 12 +- tests/test_calculations.cpp | 71 ++- utils/generator.cpp | 4 +- 8 files changed, 490 insertions(+), 496 deletions(-) diff --git a/calculations.cpp b/calculations.cpp index 5bff0d0..0e0a257 100644 --- a/calculations.cpp +++ b/calculations.cpp @@ -167,7 +167,7 @@ double bethek_lindhard(const Projectile &p){ double dk[3]; double dmk = 0; double dkm1 = 0; - while(n<100){ + while(n<5000){ double k0 = n; int max = (n==1)?3:2; for(int i=0;i +#include using std::cout; using std::endl; -int main(){ - - catima::Projectile p(238,92); // define projectile, ie 12C - - cout<<"projectile 238U\n"; - - auto energies = catima::EnergyTable<50>(2,5); // get energy table, energies log distributed between 10^2 and 10000^5; +int main(int argc, char** argv){ + catima::Projectile p(238.0,92); // define projectile + if(argc>2){ + double a = atof(argv[1]); + int z = atoi(argv[2]); + if(a>0 && z>0 && z<120){ + p.A = a; + p.Z = z; + } + } + cout<<"projectile: A = "<(1,5); // get energy table, energies log distributed between 10^1 and 10000^5; for(double T:energies){ auto ls = catima::bethek_lindhard(p(T)); auto lsX = catima::bethek_lindhard_X(p(T)); diff --git a/generated_LS_coeff.h b/generated_LS_coeff.h index c4fc9d0..11d1ab1 100644 --- a/generated_LS_coeff.h +++ b/generated_LS_coeff.h @@ -13,7 +13,6 @@ constexpr double a_rel_increase=0.05; constexpr double logEmin = 0; constexpr double logEmax = 5; // energy points array in MeV/u -//constexpr EnergyTable<200> ls_energy_table(0,5); EnergyTable<200> ls_energy_table(0,5); //arrays dimensions are [z][energy], z=1 starts from index=0 @@ -21,227 +20,227 @@ EnergyTable<200> ls_energy_table(0,5); //LS coefficient for A=atomic weight double ls_coefficients_a[][200]= { - 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}; //LS coefficient for A=atomic weight * 1.05 double ls_coefficients_ahi[][200]= { - 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}; //arrays dimensions are [z][energy], z=1 starts from index=0 @@ -249,227 +248,227 @@ double ls_coefficients_ahi[][200]= //LS X coefficient (dE straggling) for A=atomic weight double ls_X_coefficients_a[][200]= { - {0.999178,0.999119,0.999056,0.99899,0.998919,0.998845,0.998765,0.998681,0.998592,0.998497,0.998396,0.998289,0.998176,0.998056,0.997928,0.997793,0.997649,0.997497,0.997336,0.997165,0.996983,0.996791,0.996587,0.99637,0.996141,0.995898,0.995641,0.995367,0.995078,0.994772,0.994447,0.994102,0.993738,0.993351,0.992942,0.992509,0.99205,0.991564,0.99105,0.990505,0.989929,0.989319,0.988673,0.98799,0.987267,0.986503,0.985695,0.98484,0.983936,0.982981,0.981971,0.980904,0.979777,0.978587,0.97733,0.976003,0.974602,0.973125,0.971566,0.969922,0.968189,0.966363,0.964439,0.962413,0.96028,0.958035,0.955675,0.953193,0.950584,0.947845,0.944968,0.941951,0.938786,0.935469,0.931996,0.92836,0.924557,0.920583,0.916432,0.912101,0.907584,0.90288,0.897983,0.892892,0.887604,0.882117,0.87643,0.870542,0.864454,0.858167,0.851682,0.845003,0.838132,0.831076,0.823841,0.816432,0.808859,0.80113,0.793257,0.785251,0.777124,0.768891,0.760567,0.752167,0.743708,0.735208,0.726685,0.718157,0.709645,0.701167,0.692742,0.68439,0.676131,0.667983,0.659964,0.652091,0.644382,0.636851,0.629512,0.62238,0.615464,0.608777,0.602325,0.596117,0.590157,0.584451,0.579,0.573805,0.568866,0.564182,0.55975,0.555564,0.551621,0.547915,0.544438,0.541183,0.538142,0.535306,0.532667,0.530216,0.527943,0.525839,0.523894,0.5221,0.520446,0.518926,0.517528,0.516247,0.515072,0.513997,0.513014,0.512115,0.511296,0.510548,0.509866,0.509245,0.508679,0.508164,0.507694,0.507265,0.506874,0.506516,0.506189,0.505888,0.505611,0.505355,0.505117,0.504895,0.504685,0.504487,0.504296,0.504112,0.503933,0.503755,0.503576,0.503396,0.503211,0.503019,0.502817,0.502604,0.502376,0.50213,0.501864,0.501574,0.501256,0.500906,0.500519,0.500092,0.499617,0.49909,0.498503,0.497849,0.497119,0.496305,0.495397,0.494382,0.493249,0.491983,0.49057,0.488991}, 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- 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{1.01181,1.01255,1.01332,1.01414,1.015,1.01591,1.01686,1.01787,1.01893,1.02005,1.02123,1.02247,1.02379,1.02517,1.02663,1.02817,1.0298,1.03151,1.03332,1.03523,1.03724,1.03936,1.0416,1.04396,1.04646,1.04908,1.05186,1.05478,1.05786,1.0611,1.06452,1.06813,1.07193,1.07592,1.08014,1.08457,1.08924,1.09415,1.09931,1.10474,1.11045,1.11644,1.12274,1.12935,1.13629,1.14356,1.15119,1.15918,1.16754,1.1763,1.18545,1.19502,1.20501,1.21543,1.2263,1.23762,1.24941,1.26166,1.2744,1.28762,1.30132,1.31552,1.33021,1.34539,1.36106,1.37722,1.39386,1.41098,1.42855,1.44658,1.46504,1.48393,1.50321,1.52286,1.54287,1.56321,1.58384,1.60473,1.62585,1.64715,1.66861,1.69018,1.71181,1.73346,1.75508,1.77663,1.79805,1.81929,1.84031,1.86106,1.88147,1.90151,1.92113,1.94027,1.9589,1.97697,1.99444,2.01127,2.02743,2.04288,2.05761,2.07159,2.08479,2.09722,2.10884,2.11967,2.1297,2.13893,2.14738,2.15504,2.16194,2.1681,2.17353,2.17826,2.18232,2.18573,2.18852,2.19072,2.19236,2.19346,2.19407,2.19419,2.19387,2.19312,2.19198,2.19045,2.18855,2.18631,2.18374,2.18084,2.17763,2.1741,2.17027,2.16612,2.16166,2.15688,2.15178,2.14633,2.14053,2.13435,2.12779,2.12082,2.11341,2.10555,2.09719,2.08832,2.07891,2.06891,2.05829,2.04701,2.03505,2.02234,2.00886,1.99455,1.97938,1.96329,1.94623,1.92816,1.90903,1.88877,1.86736,1.84472,1.82082,1.79559,1.76901,1.74101,1.71157,1.68063,1.64817,1.61417,1.5786,1.54146,1.50275,1.46248,1.42069,1.3774,1.3327,1.28666,1.23938,1.191,1.14165,1.09151,1.04079,0.989695,0.938475,0.887385,0.836697,0.786688,0.737636,0.689807,0.643452,0.598791,0.556011,0.515254,0.476615,0.440142,0.405835,0.373654,0.343529,0.315373}, + {1.01163,1.01236,1.01312,1.01393,1.01478,1.01567,1.01662,1.01761,1.01866,1.01976,1.02093,1.02215,1.02345,1.02481,1.02626,1.02778,1.02938,1.03107,1.03286,1.03474,1.03673,1.03882,1.04104,1.04337,1.04583,1.04843,1.05116,1.05405,1.0571,1.0603,1.06369,1.06725,1.07101,1.07497,1.07914,1.08353,1.08815,1.09301,1.09813,1.10352,1.10918,1.11513,1.12138,1.12795,1.13484,1.14207,1.14966,1.15761,1.16594,1.17466,1.18379,1.19333,1.2033,1.21371,1.22457,1.2359,1.24769,1.25997,1.27273,1.28599,1.29975,1.31401,1.32878,1.34405,1.35984,1.37612,1.39291,1.41019,1.42795,1.44619,1.46488,1.48401,1.50357,1.52353,1.54387,1.56456,1.58556,1.60686,1.62841,1.65018,1.67212,1.69421,1.71638,1.7386,1.76081,1.78298,1.80504,1.82695,1.84866,1.87011,1.89126,1.91205,1.93242,1.95234,1.97176,1.99062,2.00889,2.02653,2.0435,2.05977,2.0753,2.09008,2.10409,2.1173,2.1297,2.14129,2.15207,2.16203,2.17118,2.17954,2.1871,2.1939,2.19995,2.20527,2.2099,2.21384,2.21714,2.21981,2.2219,2.22342,2.22441,2.2249,2.22491,2.22446,2.22358,2.22229,2.22061,2.21856,2.21614,2.21337,2.21026,2.20681,2.20303,2.19891,2.19445,2.18965,2.1845,2.17898,2.17308,2.1668,2.1601,2.15296,2.14537,2.1373,2.12873,2.11961,2.10992,2.09963,2.0887,2.0771,2.06478,2.0517,2.03782,2.0231,2.00749,1.99094,1.9734,1.95483,1.93517,1.91438,1.8924,1.86918,1.84467,1.81883,1.7916,1.76294,1.73281,1.70117,1.668,1.63326,1.59695,1.55905,1.51956,1.47851,1.43593,1.39186,1.34636,1.29953,1.25147,1.20231,1.15221,1.10134,1.0499,0.998117,0.946241,0.89453,0.843259,0.792708,0.743155,0.694867,0.648094,0.603053,0.559929,0.518859,0.479935,0.443201,0.40865,0.376241,0.345902,0.317543}, + {1.01145,1.01216,1.01292,1.01372,1.01455,1.01544,1.01637,1.01735,1.01838,1.01947,1.02062,1.02183,1.0231,1.02445,1.02587,1.02737,1.02895,1.03062,1.03238,1.03424,1.0362,1.03827,1.04045,1.04275,1.04518,1.04775,1.05045,1.0533,1.05631,1.05948,1.06282,1.06634,1.07006,1.07397,1.07809,1.08244,1.08701,1.09183,1.0969,1.10223,1.10784,1.11374,1.11994,1.12646,1.1333,1.14048,1.14802,1.15593,1.16421,1.1729,1.18198,1.19149,1.20144,1.21182,1.22267,1.23398,1.24578,1.25806,1.27084,1.28412,1.29792,1.31223,1.32707,1.34242,1.3583,1.3747,1.39162,1.40905,1.42698,1.4454,1.46431,1.48368,1.5035,1.52374,1.54439,1.56542,1.58679,1.60848,1.63045,1.65266,1.67508,1.69767,1.72037,1.74315,1.76595,1.78872,1.81142,1.834,1.85639,1.87854,1.90041,1.92194,1.94308,1.96378,1.98398,2.00364,2.02272,2.04117,2.05896,2.07604,2.0924,2.10799,2.1228,2.13681,2.15,2.16237,2.17391,2.18461,2.19449,2.20354,2.21179,2.21924,2.22592,2.23185,2.23704,2.24153,2.24535,2.24851,2.25105,2.253,2.25439,2.25524,2.25558,2.25543,2.25482,2.25378,2.25231,2.25044,2.24817,2.24553,2.24251,2.23913,2.23539,2.23128,2.22681,2.22197,2.21675,2.21115,2.20513,2.19871,2.19184,2.18452,2.17672,2.16841,2.15957,2.15017,2.14017,2.12955,2.11827,2.10628,2.09356,2.08006,2.06573,2.05053,2.03442,2.01735,1.99927,1.98013,1.95987,1.93846,1.91584,1.89195,1.86675,1.84019,1.81223,1.78281,1.7519,1.71947,1.68547,1.6499,1.61274,1.57397,1.53362,1.49169,1.44822,1.40327,1.35689,1.30919,1.26028,1.21028,1.15937,1.10772,1.05554,1.00307,0.950546,0.898241,0.846433,0.795403,0.745431,0.696782,0.649704,0.604409,0.561076,0.519837,0.480774,0.443923,0.409272,0.376775,0.346354,0.317918}, + {1.01126,1.01197,1.01271,1.0135,1.01432,1.01519,1.01611,1.01707,1.01809,1.01916,1.0203,1.02149,1.02275,1.02407,1.02547,1.02695,1.02851,1.03016,1.03189,1.03372,1.03565,1.03769,1.03985,1.04212,1.04451,1.04704,1.0497,1.05252,1.05548,1.05861,1.06191,1.06539,1.06906,1.07292,1.077,1.08129,1.08581,1.09058,1.09559,1.10087,1.10642,1.11227,1.11841,1.12487,1.13166,1.13879,1.14627,1.15412,1.16236,1.17099,1.18003,1.1895,1.19941,1.20976,1.22058,1.23187,1.24365,1.25593,1.26871,1.28201,1.29583,1.31018,1.32507,1.34049,1.35645,1.37294,1.38998,1.40754,1.42563,1.44423,1.46333,1.48293,1.50299,1.52351,1.54445,1.5658,1.58752,1.60959,1.63197,1.65462,1.67751,1.70059,1.72382,1.74714,1.77053,1.79391,1.81725,1.84048,1.86356,1.88642,1.90902,1.9313,1.95321,1.97469,1.9957,2.01617,2.03607,2.05535,2.07398,2.0919,2.10909,2.12552,2.14117,2.156,2.17001,2.18318,2.1955,2.20698,2.21761,2.2274,2.23636,2.2445,2.25184,2.2584,2.26421,2.26928,2.27365,2.27733,2.28037,2.28278,2.28459,2.28584,2.28655,2.28675,2.28645,2.28568,2.28446,2.28281,2.28074,2.27826,2.27538,2.27211,2.26845,2.26441,2.25997,2.25514,2.24991,2.24426,2.23819,2.23168,2.22472,2.21727,2.20932,2.20085,2.19183,2.18222,2.172,2.16113,2.14959,2.13732,2.1243,2.11048,2.09581,2.08026,2.06378,2.04632,2.02783,2.00826,1.98756,1.96569,1.94259,1.91821,1.89249,1.8654,1.83689,1.8069,1.77541,1.74238,1.70778,1.67158,1.63377,1.59435,1.55332,1.51071,1.46656,1.4209,1.37383,1.32542,1.27579,1.22509,1.17347,1.12112,1.06825,1.01509,0.961903,0.90895,0.856513,0.804876,0.75432,0.705112,0.6575,0.611697,0.56788,0.526181,0.486681,0.449415,0.41437,0.381498,0.350721,0.321949}, + {1.01107,1.01176,1.0125,1.01327,1.01409,1.01494,1.01585,1.0168,1.0178,1.01886,1.01997,1.02115,1.02238,1.02369,1.02507,1.02653,1.02806,1.02968,1.03139,1.03319,1.0351,1.03711,1.03922,1.04146,1.04382,1.04631,1.04894,1.05171,1.05464,1.05772,1.06098,1.06441,1.06803,1.07184,1.07586,1.0801,1.08457,1.08928,1.09423,1.09945,1.10495,1.11073,1.11681,1.12321,1.12993,1.137,1.14442,1.15221,1.16039,1.16896,1.17795,1.18736,1.19722,1.20753,1.21831,1.22957,1.24132,1.25358,1.26635,1.27965,1.29348,1.30785,1.32277,1.33824,1.35426,1.37084,1.38797,1.40565,1.42387,1.44263,1.46191,1.48171,1.502,1.52277,1.54399,1.56564,1.5877,1.61012,1.63289,1.65596,1.6793,1.70285,1.72658,1.75045,1.7744,1.79837,1.82233,1.84621,1.86996,1.89352,1.91684,1.93986,1.96253,1.98479,2.00659,2.02787,2.04859,2.0687,2.08816,2.10692,2.12495,2.14222,2.15869,2.17435,2.18918,2.20315,2.21627,2.22852,2.23991,2.25043,2.26011,2.26894,2.27695,2.28415,2.29056,2.29622,2.30113,2.30534,2.30886,2.31173,2.31397,2.31561,2.31668,2.3172,2.3172,2.3167,2.31571,2.31426,2.31235,2.31001,2.30724,2.30405,2.30044,2.29642,2.29198,2.28711,2.28182,2.27608,2.2699,2.26325,2.25611,2.24847,2.24031,2.23159,2.2223,2.2124,2.20186,2.19065,2.17874,2.16609,2.15265,2.13838,2.12325,2.10721,2.09022,2.07222,2.05316,2.033,2.01169,1.98918,1.96541,1.94034,1.91391,1.88608,1.8568,1.82603,1.79374,1.75988,1.72442,1.68736,1.64867,1.60835,1.56642,1.5229,1.47783,1.43126,1.38328,1.33398,1.28348,1.23192,1.17948,1.12635,1.07273,1.01888,0.965058,0.911526,0.858573,0.806486,0.755544,0.706013,0.658139,0.612127,0.568149,0.526327,0.486735,0.449399,0.414298,0.38138,0.350562,0.321751} }; //LS X coefficient for A=atomic weight * 1.05 double ls_X_coefficients_ahi[][200]= { - 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}; } diff --git a/tests/test.py b/tests/test.py index c96ac69..0ff7bcf 100644 --- a/tests/test.py +++ b/tests/test.py @@ -75,7 +75,7 @@ class TestStructures(unittest.TestCase): self.assertAlmostEqual(m2.molar_mass(),18,1) self.assertAlmostEqual(m2.density(),1.0,1) - m3 = catima.get_material(3001) + m3 = catima.get_material(301) self.assertEqual(m3.ncomponents(),0) self.assertAlmostEqual(m3.molar_mass(),0,1) self.assertAlmostEqual(m3.density(),0.0,1) @@ -254,15 +254,5 @@ class TestStructures(unittest.TestCase): #self.assertAlmostEqual(catima.da2de(p,water,et[100]),data[2][100],6) #self.assertAlmostEqual(catima.da2de(p,water,et[400]),data[2][400],6) - def test_config(self): - c1 = catima.Config() - self.assertEqual(c1.z_effective(),catima.z_eff_type.pierce_blann); - - d = {} - d["z_effective"] = catima.z_eff_type.atima14; - c1.set(d); - self.assertEqual(c1.z_effective(),catima.z_eff_type.atima14); - - if __name__ == "__main__": unittest.main() diff --git a/tests/test_calculations.cpp b/tests/test_calculations.cpp index a704256..c29068a 100644 --- a/tests/test_calculations.cpp +++ b/tests/test_calculations.cpp @@ -1,21 +1,11 @@ #include "lest.hpp" #include "testutils.h" #include -using namespace std; -using catima::approx; #include "catima/catima.h" #include "catima/calculations.h" -bool rcompare(double a, double b,double eps){ - if(fabs((a-b)/fabs(b))