Merge pull request #26 from hrosiak/vector

Vector

catima.cpp

@@ -87,6 +87,23 @@ double dedx_from_range(Projectile &p, double T, const Material &t, const Config
     return p.A/range_spline.derivative(T);
 }
 
+std::vector<double> dedx_from_range(Projectile &p, const std::vector<double> &T, const Material &t, const Config &c){
+    auto data = _storage.Get(p,t,c);
+    Interpolator range_spline(energy_table.values,data.range.data(),energy_table.num);
+
+    std::vector<double> dedx;
+    dedx.reserve(T.size());
+    for(auto e:T){
+        if(e<catima::Ezero){
+            dedx.push_back(0.0);
+        }
+        else{
+            dedx.push_back(p.A/range_spline.derivative(e));
+        }
+    }
+    return dedx;
+}
+
 double range_straggling(Projectile &p, double T, const Material &t, const Config &c){
     double r=0;
     auto data = _storage.Get(p,t,c);
@@ -161,6 +178,24 @@ double energy_out(Projectile &p, double T, const Material &t, const Config &c){
     return energy_out(T,t.thickness(),range_spline);
     }
 
+std::vector<double> energy_out(Projectile &p, const std::vector<double> &T, const Material &t, const Config &c){
+    auto data = _storage.Get(p,t,c);
+    Interpolator range_spline(energy_table.values,data.range.data(),energy_table.num);
+
+    std::vector<double> eout;
+    eout.reserve(T.size());
+    for(auto e:T){
+        if(e<catima::Ezero){
+            eout.push_back(0.0);
+        }
+        else{
+            eout.push_back(energy_out(e,t.thickness(),range_spline));
+        }
+    }
+    
+    return eout;
+    }
+
 Result calculate(Projectile &p, const Material &t, const Config &c){
     Result res;
     double T = p.T;

catima.h

@@ -18,6 +18,7 @@
 #define CPPATIMA_H
 
 #include <utility>
+#include <vector>
 
 // #define NDEBUG
 #include "catima/build_config.h"
@@ -70,6 +71,15 @@ namespace catima{
       */
     double dedx_from_range(Projectile &p, double T, const Material &t, const Config &c=default_config);
 
+    /**
+      * returns the dEdx calculated from range spline as derivative
+      * @param p - Projectile
+      * @param T - energy vector
+      * @param mat - Material
+      * @return range
+      */
+    std::vector<double> dedx_from_range(Projectile &p, const std::vector<double> &T, const Material &t, const Config &c=default_config);
+
     /**
       * returns the  range straggling of the Projectile in Material from spline
       * @param p - Projectile
@@ -144,6 +154,15 @@ namespace catima{
       */
     double energy_out(Projectile &p, double T, const Material &t, const Config &c=default_config);
 
+    /**
+      * calculates outcoming energy 
+      * @p - Projectile
+      * @t - Material
+      * @param T - incoming energy vector
+      * @return outcoming energy after the material in Mev/u
+      */
+    std::vector<double> energy_out(Projectile &p, const std::vector<double> &T, const Material &t, const Config &c=default_config);
+
     /**
       * calculates all observables for projectile passing material
       * @param p - Projectile

catima.pyx

@@ -7,6 +7,7 @@
 """
 
 cimport catimac
+from libcpp.vector cimport vector
 from enum import IntEnum
 import numpy
 
@@ -391,13 +392,13 @@ def projectile_range(Projectile projectile, Material material, energy = None, Co
 
 def dedx_from_range(Projectile projectile, Material material, energy = None, Config config = default_config):  
     if(isinstance(energy,numpy.ndarray)):
-        res = numpy.empty(energy.size)
+        res = catimac.dedx_from_range(projectile.cbase, <vector[double]>energy.tolist(), material.cbase, config.cbase)
-        for i,e in enumerate(energy):
+        return numpy.asarray(res);
-            res[i] = catimac.dedx_from_range(projectile.cbase, e, material.cbase, config.cbase)
+    if(isinstance(energy,list)):
-        return res    
+        return catimac.dedx_from_range(projectile.cbase, <vector[double]>energy, material.cbase, config.cbase)
     if(energy is None):
         energy = projectile.T()    
-    return catimac.dedx_from_range(projectile.cbase, energy, material.cbase, config.cbase);
+    return catimac.dedx_from_range(projectile.cbase, <double>energy, material.cbase, config.cbase);
 
 def domega2de(Projectile projectile, Material material, energy = None, Config config = default_config):  
     if(isinstance(energy,numpy.ndarray)):
@@ -441,13 +442,13 @@ def domega2dx(Projectile projectile, Material material, energy = None, Config co
 
 def energy_out(Projectile projectile, Material material, energy = None, Config config = default_config):
     if(isinstance(energy,numpy.ndarray)):
-        res = numpy.empty(energy.size)
+        res =  catimac.energy_out(projectile.cbase, <vector[double]>energy.tolist(), material.cbase, config.cbase)
-        for i,e in enumerate(energy):
+        return numpy.asarray(res)
-            res[i] = catimac.energy_out(projectile.cbase, e, material.cbase, config.cbase)
+    if(isinstance(energy,list)):
-        return res    
+        return catimac.energy_out(projectile.cbase, <vector[double]>energy, material.cbase, config.cbase)
     if(energy is None):
         energy = projectile.T()
-    return catimac.energy_out(projectile.cbase, energy, material.cbase, config.cbase)
+    return catimac.energy_out(projectile.cbase, <double>energy, material.cbase, config.cbase)
 
 def sezi_dedx_e(Projectile projectile, Target t):
     return catimac.sezi_dedx_e(projectile.cbase, t.cbase)

catimac.pxd

@@ -73,7 +73,9 @@ cdef extern from "catima/catima.h" namespace "catima":
     cdef double domega2dx(Projectile &p, double T, const Material &mat, const Config &c)
     cdef double range(Projectile &p, double T, const Material &t, const Config &c);
     cdef double dedx_from_range(Projectile &p, double T, const Material &t, const Config &c);
+    cdef vector[double] dedx_from_range(Projectile &p, vector[double] &T, const Material &t, const Config &c);
     cdef double energy_out(Projectile &p, double T, const Material &t, const Config &c);
+    cdef vector[double] energy_out(Projectile &p, vector[double] &T, const Material &t, const Config &c);
 
     cdef double domega2de(Projectile &p, double T, const Material &t, const Config &c);
     cdef double da2de(Projectile &p, double T, const Material &t, const Config &c);

tests/test.py

@@ -144,8 +144,6 @@ class TestStructures(unittest.TestCase):
 
     def test_material_calculation(self):
         water = catima.get_material(catima.material.WATER)
-        water2 = catima.get_material(catima.material.WATER)
-        water2.I(78.0)
         p = catima.Projectile(1,1)
         
         p(1000)
@@ -154,15 +152,10 @@ class TestStructures(unittest.TestCase):
         self.assertAlmostEqual(res.dEdxi,2.23,1)
         self.assertAlmostEqual(res["dEdxi"],2.23,1)
         self.assertAlmostEqual(res.dEdxi,res2,3)
-        res3 = catima.calculate(p,water2)
-        self.assertTrue(res.dEdxi>res3.dEdxi)
-
         res = catima.calculate(p(500),water)
         res2 = catima.dedx(p,water)
         self.assertAlmostEqual(res.dEdxi,2.76,1)
         self.assertAlmostEqual(res.dEdxi,res2,3)
-        res3 = catima.calculate(p,water2)
-        self.assertTrue(res.dEdxi>res3.dEdxi)
 
         res = catima.calculate(p(9),water)
         res2 = catima.dedx(p,water)
@@ -187,7 +180,31 @@ class TestStructures(unittest.TestCase):
         self.assertAlmostEqual(res["Eout"],997.077,1)
         self.assertAlmostEqual(res.Eout,res2,3)
     
-    def test_layer_calculateion(self):
+    def test_eout_list(self):
+        graphite = catima.get_material(6)
+        graphite.thickness(0.5)
+        p = catima.Projectile(12,6)
+        energies = [100,500,1000]
+        res = catima.calculate(p(1000),graphite)
+        self.assertAlmostEqual(res.Eout,997.077,1)
+        res2 = catima.energy_out(p,graphite,energy=energies)
+        self.assertEqual(len(res2),len(energies))
+        self.assertAlmostEqual(res2[2], 997.077,1)
+        self.assertAlmostEqual(res2[0], catima.calculate(p(energies[0]),graphite).Eout ,1)
+        self.assertAlmostEqual(res2[1], catima.calculate(p(energies[1]),graphite).Eout ,1)
+    
+    def test_dedx_from_range_list(self):
+        graphite = catima.get_material(6)
+        graphite.thickness(0.5)
+        p = catima.Projectile(12,6)
+        energies = [100,500,1000]
+        res2 = catima.dedx_from_range(p,graphite,energy=energies)
+        self.assertEqual(len(res2),len(energies))
+        for i,e in enumerate(energies):
+            r = catima.dedx_from_range(p, graphite, energy=e)
+            self.assertAlmostEqual(res2[i], r, 0.1)
+
+    def test_layer_calculation(self):
         p = catima.Projectile(12,6)
         water = catima.get_material(catima.material.WATER)
         water.thickness(10.0)
@@ -261,9 +278,8 @@ class TestStructures(unittest.TestCase):
         graphite = catima.get_material(6)
         graphite.thickness(1.0)
         data = catima.get_data(p, water)
-        self.assertEqual(catima.max_storage_data,50) # assuming 50, this has to be changed manually
+        self.assertEqual(catima.max_storage_data,100) # assuming 50, this has to be changed manually
         r = catima.storage_info()
-        print(r)
         
         #self.assertAlmostEqual(catima.da2de(p,water,et[100]),data[2][100],6)
         #self.assertAlmostEqual(catima.da2de(p,water,et[400]),data[2][400],6)

tests/test_calculations.cpp

@@ -358,6 +358,34 @@ const lest::test specification[] =
         c.z_effective = z_eff_type::atima14;
         EXPECT(z_eff_atima14(92,1900,13) == z_effective(p_u(1900.),t,c));
         #endif
+    },
+    CASE("vector_inputs"){
+        catima::Projectile p{12,6,6,1000};
+        catima::Material water({
+                {1.00794,1,2},
+                {15.9994,8,1}
+                });
+        catima::Material graphite;
+        graphite.add_element(12,6,1);
+        graphite.density(2.0);
+        graphite.thickness(0.5);
+      
+      auto res = catima::calculate(p,graphite);
+      EXPECT( res.Eout == approx(997.07,01));
+
+      std::vector<double> energies{100,500,1000};
+      auto res2 = catima::energy_out(p,energies, graphite);
+      EXPECT(res2.size()==energies.size());
+      EXPECT(res2[2] == approx(997.07,01));
+      EXPECT(res2[0] == approx(catima::energy_out(p,energies[0],graphite),0.1));
+      EXPECT(res2[1] == approx(catima::energy_out(p,energies[1],graphite),0.1));
+      EXPECT(res2[2] == approx(catima::energy_out(p,energies[2],graphite),0.1));
+
+      auto res3 = catima::dedx_from_range(p,energies,graphite);
+      EXPECT(res3.size()==energies.size());
+      EXPECT(res3[0] == approx(catima::dedx_from_range(p,energies[0],graphite),0.1));
+      EXPECT(res3[1] == approx(catima::dedx_from_range(p,energies[1],graphite),0.1));
+      EXPECT(res3[2] == approx(catima::dedx_from_range(p,energies[2],graphite),0.1));
     }
     
 };