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Merge pull request #22 from hrosiak/ls

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ls calculation
This commit is contained in:
Andrej Prochazka 2018-01-22 23:14:10 +01:00 committed by GitHub
parent 1295926535 407d482e9f
commit a21d6fe204
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GPG Key ID: 4AEE18F83AFDEB23
8 changed files with 490 additions and 496 deletions
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4
calculations.cpp
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@ -167,7 +167,7 @@ double bethek_lindhard(const Projectile &p){
double dk[3]; double dk[3];
double dmk = 0; double dmk = 0;
double dkm1 = 0; double dkm1 = 0;
while(n<100){ while(n<5000){
double k0 = n; double k0 = n;
int max = (n==1)?3:2; int max = (n==1)?3:2;
for(int i=0;i<max;i++){ for(int i=0;i<max;i++){
@ -284,7 +284,7 @@ double bethek_lindhard_X(const Projectile &p){
double dkm1 = 0; double dkm1 = 0;
double dkm2 = 0; double dkm2 = 0;
while(n<200){ while(n<1000){
double k0 = n; double k0 = n;
//int max = (n==1)?4:2; //int max = (n==1)?4:2;
int max = 4; int max = 4;

6
catima.pyx
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@ -442,6 +442,12 @@ def energy_out(Projectile projectile, Material material, energy = None, Config c
energy = projectile.T() energy = projectile.T()
return catimac.energy_out(projectile.cbase, energy, material.cbase, config.cbase) return catimac.energy_out(projectile.cbase, energy, material.cbase, config.cbase)
def lindhard(Projectile projectile):
return catimac.bethek_lindhard(projectile.cbase);
def lindhard_X(Projectile projectile):
return catimac.bethek_lindhard_X(projectile.cbase);
def z_effective(Projectile p, Target t, Config c = default_config): def z_effective(Projectile p, Target t, Config c = default_config):
return catimac.z_effective(p.cbase, t.cbase, c.cbase) return catimac.z_effective(p.cbase, t.cbase, c.cbase)

2
catimac.pxd
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@ -84,6 +84,8 @@ cdef extern from "catima/catima.h" namespace "catima":
cdef MultiResult calculate(Projectile &p, const Layers &layers, const Config &c); cdef MultiResult calculate(Projectile &p, const Layers &layers, const Config &c);
cdef extern from "catima/calculations.h" namespace "catima": cdef extern from "catima/calculations.h" namespace "catima":
cdef double bethek_lindhard(const Projectile &p);
cdef double bethek_lindhard_X(const Projectile &p);
cdef double z_effective(const Projectile &p, const Target &t, const Config &c); cdef double z_effective(const Projectile &p, const Target &t, const Config &c);
cdef double z_eff_Pierce_Blann(double z, double beta); cdef double z_eff_Pierce_Blann(double z, double beta);
cdef double z_eff_Anthony_Landford(double pz, double beta, double tz); cdef double z_eff_Anthony_Landford(double pz, double beta, double tz);

22
examples/ls_coefficients.cpp
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@ -1,22 +1,28 @@
/** /**
* this example program print out Lindhard - Soerrensen coefficients for 238U * this example program print out Lindhard - Soerrensen coefficients
*/ */
#include "catima/catima.h" #include "catima/catima.h"
#include "catima/storage.h" #include "catima/storage.h"
#include <iostream> #include <iostream>
#include <stdlib.h>
using std::cout; using std::cout;
using std::endl; using std::endl;
int main(){ int main(int argc, char** argv){
catima::Projectile p(238.0,92); // define projectile
catima::Projectile p(238,92); // define projectile, ie 12C if(argc>2){
double a = atof(argv[1]);
cout<<"projectile 238U\n"; int z = atoi(argv[2]);
if(a>0 && z>0 && z<120){
auto energies = catima::EnergyTable<50>(2,5); // get energy table, energies log distributed between 10^2 and 10000^5; p.A = a;
p.Z = z;
}
}
cout<<"projectile: A = "<<p.A<<", Z = "<<p.Z<<"\n";
auto energies = catima::EnergyTable<100>(1,5); // get energy table, energies log distributed between 10^1 and 10000^5;
for(double T:energies){ for(double T:energies){
auto ls = catima::bethek_lindhard(p(T)); auto ls = catima::bethek_lindhard(p(T));
auto lsX = catima::bethek_lindhard_X(p(T)); auto lsX = catima::bethek_lindhard_X(p(T));

865
generated_LS_coeff.h
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@ -13,7 +13,6 @@ constexpr double a_rel_increase=0.05;
constexpr double logEmin = 0; constexpr double logEmin = 0;
constexpr double logEmax = 5; constexpr double logEmax = 5;
// energy points array in MeV/u // energy points array in MeV/u
//constexpr EnergyTable<200> ls_energy_table(0,5);
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 //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 //LS coefficient for A=atomic weight
double ls_coefficients_a[][200]= double ls_coefficients_a[][200]=
{ {
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}; };
//LS coefficient for A=atomic weight * 1.05 //LS coefficient for A=atomic weight * 1.05
double ls_coefficients_ahi[][200]= double ls_coefficients_ahi[][200]=
{ {
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}; };
//arrays dimensions are [z][energy], z=1 starts from index=0 //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 //LS X coefficient (dE straggling) for A=atomic weight
double ls_X_coefficients_a[][200]= 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}, {0.999182,0.999124,0.999062,0.998995,0.998925,0.998851,0.998772,0.998688,0.998598,0.998504,0.998404,0.998297,0.998184,0.998064,0.997937,0.997802,0.997659,0.997507,0.997346,0.997175,0.996994,0.996802,0.996598,0.996382,0.996153,0.99591,0.995653,0.995381,0.995092,0.994785,0.994461,0.994117,0.993753,0.993367,0.992958,0.992526,0.992067,0.991582,0.991068,0.990524,0.989948,0.989338,0.988693,0.988011,0.987289,0.986525,0.985717,0.984863,0.98396,0.983005,0.981996,0.98093,0.979804,0.978614,0.977358,0.976032,0.974632,0.973155,0.971597,0.969955,0.968223,0.966397,0.964474,0.962449,0.960317,0.958074,0.955714,0.953233,0.950626,0.947887,0.945012,0.941995,0.938832,0.935516,0.932044,0.928409,0.924608,0.920635,0.916485,0.912155,0.90764,0.902937,0.898042,0.892953,0.887666,0.88218,0.876495,0.870608,0.864522,0.858236,0.851752,0.845074,0.838206,0.831151,0.823917,0.81651,0.808938,0.801211,0.79334,0.785335,0.77721,0.768979,0.760656,0.752258,0.7438,0.735302,0.72678,0.718255,0.709744,0.701267,0.692844,0.684494,0.676236,0.668089,0.660071,0.6522,0.644492,0.636962,0.629625,0.622494,0.61558,0.608894,0.602443,0.596236,0.590278,0.584573,0.579123,0.573929,0.568991,0.564308,0.559877,0.555692,0.55175,0.548044,0.544568,0.541314,0.538274,0.535439,0.532801,0.53035,0.528078,0.525974,0.52403,0.522236,0.520584,0.519064,0.517667,0.516386,0.515211,0.514137,0.513154,0.512256,0.511437,0.510689,0.510008,0.509387,0.508822,0.508306,0.507837,0.507408,0.507018,0.50666,0.506333,0.506032,0.505756,0.5055,0.505262,0.50504,0.504831,0.504632,0.504442,0.504258,0.504078,0.503901,0.503723,0.503542,0.503357,0.503165,0.502964,0.50275,0.502522,0.502277,0.502011,0.501721,0.501403,0.501053,0.500667,0.500239,0.499764,0.499237,0.49865,0.497996,0.497267,0.496453,0.495544,0.494529,0.493396,0.492131,0.490717,0.489139},
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{1.02524,1.0251,1.02504,1.02506,1.02516,1.02533,1.02559,1.02593,1.02636,1.02686,1.02746,1.02813,1.0289,1.02976,1.03072,1.03177,1.03292,1.03418,1.03554,1.03701,1.0386,1.04031,1.04214,1.0441,1.0462,1.04844,1.05083,1.05337,1.05607,1.05895,1.062,1.06523,1.06866,1.0723,1.07614,1.08021,1.08451,1.08906,1.09386,1.09892,1.10427,1.1099,1.11584,1.1221,1.12869,1.13562,1.14291,1.15057,1.15861,1.16706,1.17592,1.18521,1.19493,1.20512,1.21577,1.2269,1.23853,1.25066,1.26331,1.27648,1.29018,1.30442,1.31921,1.33455,1.35044,1.36688,1.38387,1.40141,1.4195,1.43811,1.45725,1.4769,1.49705,1.51767,1.53874,1.56024,1.58214,1.60441,1.62702,1.64993,1.6731,1.69649,1.72006,1.74375,1.76753,1.79133,1.81512,1.83882,1.86239,1.88578,1.90892,1.93176,1.95425,1.97633,1.99794,2.01904,2.03958,2.05951,2.07878,2.09736,2.11521,2.1323,2.14859,2.16408,2.17873,2.19253,2.20548,2.21756,2.22878,2.23915,2.24867,2.25734,2.2652,2.27225,2.27852,2.28404,2.28882,2.29289,2.29629,2.29904,2.30117,2.3027,2.30366,2.30408,2.30398,2.30338,2.30231,2.30077,2.29879,2.29638,2.29354,2.29028,2.28661,2.28253,2.27803,2.27312,2.26778,2.262,2.25578,2.24909,2.24192,2.23425,2.22605,2.21731,2.20799,2.19807,2.18751,2.17629,2.16435,2.15168,2.13823,2.12395,2.10881,2.09276,2.07575,2.05774,2.03868,2.01851,1.9972,1.97468,1.9509,1.92582,1.89939,1.87156,1.84228,1.8115,1.7792,1.74534,1.70988,1.67282,1.63412,1.59381,1.55188,1.50835,1.46328,1.41671,1.36873,1.31943,1.26892,1.21737,1.16492,1.11179,1.05818,1.00433,0.9505,0.896968,0.844015,0.791927,0.740985,0.691454,0.643579,0.597567,0.553588,0.511767,0.472174,0.434838,0.399737,0.366819,0.336001,0.30719} {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 //LS X coefficient for A=atomic weight * 1.05
double ls_X_coefficients_ahi[][200]= double ls_X_coefficients_ahi[][200]=
{ {
{0.999178,0.999119,0.999056,0.99899,0.998919,0.998845,0.998765,0.998681,0.998592,0.998497,0.998396,0.998289,0.998176,0.998056,0.997928,0.997793,0.997649,0.997497,0.997336,0.997165,0.996983,0.996791,0.996587,0.99637,0.996141,0.995898,0.995641,0.995367,0.995078,0.994772,0.994447,0.994102,0.993738,0.993351,0.992942,0.992509,0.99205,0.991564,0.99105,0.990505,0.989929,0.989319,0.988673,0.98799,0.987267,0.986503,0.985695,0.98484,0.983936,0.982981,0.981971,0.980904,0.979777,0.978587,0.97733,0.976003,0.974602,0.973125,0.971566,0.969922,0.968189,0.966363,0.964439,0.962413,0.96028,0.958035,0.955675,0.953193,0.950584,0.947845,0.944968,0.941951,0.938786,0.935469,0.931996,0.92836,0.924557,0.920583,0.916432,0.912101,0.907584,0.90288,0.897983,0.892892,0.887604,0.882117,0.87643,0.870542,0.864454,0.858167,0.851682,0.845002,0.838132,0.831076,0.82384,0.816432,0.808859,0.80113,0.793257,0.78525,0.777124,0.768891,0.760567,0.752167,0.743708,0.735208,0.726685,0.718157,0.709645,0.701166,0.692742,0.68439,0.676131,0.667983,0.659964,0.652091,0.644382,0.63685,0.629512,0.622379,0.615464,0.608776,0.602325,0.596117,0.590157,0.584451,0.578999,0.573805,0.568866,0.564182,0.559749,0.555564,0.551621,0.547914,0.544437,0.541182,0.538141,0.535306,0.532667,0.530215,0.527942,0.525838,0.523893,0.522098,0.520445,0.518924,0.517527,0.516245,0.51507,0.513995,0.513011,0.512113,0.511293,0.510545,0.509863,0.509241,0.508675,0.508159,0.507688,0.507259,0.506867,0.506509,0.506181,0.505879,0.505601,0.505344,0.505105,0.504881,0.50467,0.50447,0.504278,0.504091,0.503909,0.503728,0.503547,0.503363,0.503174,0.502978,0.502771,0.502553,0.502319,0.502066,0.501792,0.501494,0.501166,0.500805,0.500407,0.499966,0.499477,0.498933,0.498327,0.497652,0.496899,0.496059,0.495122,0.494074,0.492905,0.491599,0.490141,0.488513}, {0.999182,0.999124,0.999062,0.998995,0.998925,0.998851,0.998772,0.998688,0.998598,0.998504,0.998404,0.998297,0.998184,0.998064,0.997937,0.997802,0.997659,0.997507,0.997346,0.997175,0.996994,0.996802,0.996598,0.996382,0.996153,0.99591,0.995653,0.995381,0.995092,0.994785,0.994461,0.994117,0.993753,0.993367,0.992958,0.992526,0.992067,0.991582,0.991068,0.990524,0.989948,0.989338,0.988693,0.988011,0.987289,0.986525,0.985717,0.984863,0.98396,0.983005,0.981996,0.98093,0.979804,0.978614,0.977358,0.976032,0.974632,0.973155,0.971597,0.969955,0.968223,0.966397,0.964474,0.962449,0.960317,0.958074,0.955714,0.953233,0.950626,0.947887,0.945012,0.941995,0.938832,0.935516,0.932044,0.928409,0.924608,0.920635,0.916485,0.912155,0.90764,0.902937,0.898042,0.892952,0.887666,0.88218,0.876495,0.870608,0.864522,0.858236,0.851752,0.845074,0.838206,0.831151,0.823917,0.81651,0.808938,0.801211,0.79334,0.785335,0.77721,0.768979,0.760656,0.752258,0.7438,0.735302,0.72678,0.718255,0.709743,0.701267,0.692844,0.684494,0.676236,0.668089,0.660071,0.6522,0.644492,0.636962,0.629625,0.622494,0.61558,0.608893,0.602443,0.596236,0.590278,0.584572,0.579122,0.573929,0.568991,0.564308,0.559876,0.555692,0.55175,0.548044,0.544568,0.541314,0.538273,0.535438,0.5328,0.53035,0.528077,0.525973,0.524029,0.522235,0.520583,0.519062,0.517665,0.516384,0.515209,0.514135,0.513152,0.512254,0.511434,0.510686,0.510005,0.509383,0.508817,0.508302,0.507831,0.507403,0.507011,0.506653,0.506325,0.506024,0.505746,0.505489,0.50525,0.505026,0.504815,0.504615,0.504423,0.504237,0.504055,0.503874,0.503693,0.503509,0.50332,0.503124,0.502918,0.502699,0.502465,0.502213,0.501939,0.501641,0.501313,0.500953,0.500554,0.500113,0.499624,0.49908,0.498474,0.4978,0.497047,0.496207,0.495269,0.494222,0.493052,0.491747,0.490288,0.48866},
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}; };
} }

12
tests/test.py
View File

@ -75,7 +75,7 @@ class TestStructures(unittest.TestCase):
self.assertAlmostEqual(m2.molar_mass(),18,1) self.assertAlmostEqual(m2.molar_mass(),18,1)
self.assertAlmostEqual(m2.density(),1.0,1) self.assertAlmostEqual(m2.density(),1.0,1)
m3 = catima.get_material(3001) m3 = catima.get_material(301)
self.assertEqual(m3.ncomponents(),0) self.assertEqual(m3.ncomponents(),0)
self.assertAlmostEqual(m3.molar_mass(),0,1) self.assertAlmostEqual(m3.molar_mass(),0,1)
self.assertAlmostEqual(m3.density(),0.0,1) 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[100]),data[2][100],6)
#self.assertAlmostEqual(catima.da2de(p,water,et[400]),data[2][400],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__": if __name__ == "__main__":
unittest.main() unittest.main()

71
tests/test_calculations.cpp
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@ -1,21 +1,11 @@
#include "lest.hpp" #include "lest.hpp"
#include "testutils.h" #include "testutils.h"
#include <math.h> #include <math.h>
using namespace std;
using catima::approx;
#include "catima/catima.h" #include "catima/catima.h"
#include "catima/calculations.h" #include "catima/calculations.h"
bool rcompare(double a, double b,double eps){ using namespace std;
if(fabs((a-b)/fabs(b))<eps){ using catima::approx;
return true;
}
else{
std::cout<<"\033[1;31m"<<a<<" == "<<b<<"\033[0m"<<std::endl;
return false;
}
}
const lest::test specification[] = const lest::test specification[] =
{ {
@ -93,53 +83,57 @@ const lest::test specification[] =
// He projectile case // He projectile case
p.T = 1; p.T = 1;
EXPECT( rcompare( catima::dedx(p,carbon), 922.06, 0.0001) ); EXPECT( catima::dedx(p,carbon) == approx(922.06).R(0.0001) );
p.T = 3; p.T = 3;
EXPECT( rcompare( catima::dedx(p,carbon), 433.09, 0.0001) ); EXPECT( catima::dedx(p,carbon) == approx(433.09).R(0.0001) );
// C projectile case // C projectile case
p.A = 12; p.A = 12;
p.Z = 6; p.Z = 6;
p.T = 1; p.T = 1;
EXPECT( rcompare( catima::dedx(p,carbon), 5792.52, 0.0001) ); EXPECT( catima::dedx(p,carbon) == approx( 5792.52).R(0.0001) );
p.T = 9.9; p.T = 9.9;
EXPECT( rcompare( catima::dedx(p,carbon), 1485.36, 0.0001) ); EXPECT( catima::dedx(p,carbon) == approx(1485.36).R(0.0001) );
}, },
CASE("LS check: deltaL values"){ CASE("LS check: deltaL values"){
catima::Projectile p{238,92,92,1}; catima::Projectile p{238,92,92,1};
catima::Target carbon{12.0107,6};
p.T = 93.1494; p.T = 93.1494;
EXPECT( rcompare( catima::bethek_lindhard(p), -0.5688, 0.01) ); EXPECT(catima::bethek_lindhard(p)== approx(-0.5688,0.0001));
p.T = 380.9932; p.T = 380.9932;
EXPECT( rcompare( catima::bethek_lindhard(p), 0.549199, 0.02) ); EXPECT(catima::bethek_lindhard(p)== approx(0.549199,0.0001));
p.T = 996.9855; p.T = 995.368987;
EXPECT( rcompare( catima::bethek_lindhard(p), 1.0732, 0.03) ); EXPECT(catima::bethek_lindhard(p)== approx(1.106649).R(0.001) );
p.T = 2794.4822; p.T = 2640.032566;
EXPECT( rcompare( catima::bethek_lindhard(p), 1.358964, 0.02) ); EXPECT(catima::bethek_lindhard(p)== approx(1.35314).R(0.001) );
p.T = 6091.392448;
EXPECT(catima::bethek_lindhard(p)== approx(1.365643).R(0.001) );
p.T = 37277.695445;
EXPECT(catima::bethek_lindhard(p)== approx(0.689662).R(0.001) );
}, },
CASE("LS check: straggling values"){ CASE("LS check: straggling values"){
catima::Projectile p{238,92,92,1}; catima::Projectile p{238,92,92,1};
catima::Target carbon{12.0107,6};
auto f = [&](){return catima::bethek_lindhard_X(p);}; auto f = [&](){return catima::bethek_lindhard_X(p);};
p.T = 93.1494; p.T = 93.1494;
EXPECT( rcompare( f(), 1.56898, 0.01) ); EXPECT( f() == approx(1.56898).R(0.01) );
p.T = 380.9932; p.T = 380.9932;
EXPECT( rcompare( f(), 1.836008, 0.01) ); EXPECT( f() == approx(1.836008).R(0.01) );
p.T = 996.9855; p.T = 996.9855;
EXPECT( rcompare( f(), 1.836528, 0.03) ); EXPECT( f() == approx(1.836528).R(0.01) );
p.T = 2794.4822; p.T = 2794.4822;
EXPECT( rcompare( f(), 1.768018, 0.02) ); EXPECT( f()== approx(1.768018).R(0.01) );
}, },
CASE("dEdx for compounds"){ CASE("dEdx for compounds"){
catima::Projectile p{1,1,1,1000}; catima::Projectile p{1,1,1,1000};
@ -310,17 +304,17 @@ const lest::test specification[] =
mat.add(graphite); mat.add(graphite);
auto res = catima::calculate(p(1000),mat); auto res = catima::calculate(p(1000),mat);
EXPECT(rcompare(res.total_result.Eout,926.3,0.01)); EXPECT(res.total_result.Eout == approx(926.3,0.1));
EXPECT(rcompare(res.total_result.sigma_a,0.00269,0.1)); EXPECT(res.total_result.sigma_a == approx(0.00269).R(0.05));
EXPECT(rcompare(res.total_result.tof,0.402,0.01)); EXPECT(res.total_result.tof == approx(0.402).R(0.001));
EXPECT(rcompare(res.total_result.Eloss,884.218,0.01)); EXPECT(res.total_result.Eloss == approx(884.2,1.0));
//EXPECT(rcompare(res.total_result.sigma_E,0.7067,0.2)); //EXPECT(rcompare(res.total_result.sigma_E,0.7067,0.2));
EXPECT(rcompare(res.results[0].Eout,932.24,0.01)); EXPECT(res.results[0].Eout == approx(932.24,0.1));
EXPECT(rcompare(res.results[0].sigma_a,0.00258,0.1)); EXPECT(res.results[0].sigma_a == approx(0.00258).R(0.05));
EXPECT(rcompare(res.results[0].range,107.163,0.01)); EXPECT(res.results[0].range == approx(107.163,0.1));
EXPECT(rcompare(res.results[1].Eout,926.3,0.01)); EXPECT(res.results[1].Eout == approx(926.3,0.1));
EXPECT(rcompare(res.results[1].sigma_a,0.000774,0.1)); EXPECT(res.results[1].sigma_a == approx(0.000774).R(0.05));
EXPECT(rcompare(res.results[1].range,110.715,0.01)); EXPECT(res.results[1].range == approx(110.8,0.1));
auto res0 = catima::calculate(p(1000),water); auto res0 = catima::calculate(p(1000),water);
EXPECT(res0.Eout == res.results[0].Eout); EXPECT(res0.Eout == res.results[0].Eout);
@ -350,7 +344,6 @@ const lest::test specification[] =
t.Z = 13; t.Z = 13;
Config c; Config c;
c.z_effective = z_eff_type::pierce_blann;
EXPECT(z_eff_Pierce_Blann(92,beta_from_T(5000.)) == approx(91.8).epsilon(0.2)); EXPECT(z_eff_Pierce_Blann(92,beta_from_T(5000.)) == approx(91.8).epsilon(0.2));
EXPECT(z_eff_Pierce_Blann(92,beta_from_T(5000.)) == z_effective(p_u(5000.),t,c)); EXPECT(z_eff_Pierce_Blann(92,beta_from_T(5000.)) == z_effective(p_u(5000.),t,c));

4
utils/generator.cpp
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@ -63,8 +63,8 @@ int main(){
sv2<<"{"; sv2<<"{";
sx1<<"{"; sx1<<"{";
sx2<<"{"; sx2<<"{";
double beta2;
for(int z=1;z<ATOMIC_WEIGHT_MAXZ-1;z++){ for(int z=1;z<ATOMIC_WEIGHT_MAXZ-1;z++){
cout<<z<<"/"<<ATOMIC_WEIGHT_MAXZ-2<<endl;
p.Z = z; p.Z = z;
if(z!=1)sv1<<","; if(z!=1)sv1<<",";
if(z!=1)sv2<<","; if(z!=1)sv2<<",";
@ -77,8 +77,6 @@ int main(){
for(int i=0;i<num_LS_datapoints;i++){ for(int i=0;i<num_LS_datapoints;i++){
p.T = ls_energy_table(i); p.T = ls_energy_table(i);
p.A = element_atomic_weight((int)p.Z); p.A = element_atomic_weight((int)p.Z);
beta2 = catima::beta_from_T(p.T);
beta2 = beta2*beta2;
r = bethek_lindhard(p); r = bethek_lindhard(p);
x1 = bethek_lindhard_X(p); x1 = bethek_lindhard_X(p);