mirror of
https://github.com/gwm17/catima.git
synced 2024-11-22 10:18:50 -05:00
306 lines
11 KiB
Python
306 lines
11 KiB
Python
import sys
|
|
sys.path.insert(0,"../build")
|
|
import unittest
|
|
import pycatima as catima
|
|
import math
|
|
|
|
class TestStructures(unittest.TestCase):
|
|
|
|
def test_Projectile(self):
|
|
p = catima.Projectile(238,92)
|
|
self.assertEqual(p.A(),238)
|
|
self.assertEqual(p.Z(),92)
|
|
self.assertEqual(p.Q(),92)
|
|
|
|
p = catima.Projectile(238,92,90)
|
|
self.assertEqual(p.A(),238)
|
|
self.assertEqual(p.Z(),92)
|
|
self.assertEqual(p.Q(),90)
|
|
p.T(1000)
|
|
self.assertEqual(p.T(),1000)
|
|
p(500)
|
|
self.assertEqual(p.T(),500)
|
|
|
|
p = catima.Projectile(238,92,90, T=100)
|
|
self.assertEqual(p.T(),100)
|
|
|
|
def test_Material(self):
|
|
mat = catima.Material()
|
|
mat.add_element(12,6,1)
|
|
self.assertEqual(mat.ncomponents(),1)
|
|
mat.add_element(1,1,2)
|
|
self.assertEqual(mat.ncomponents(),2)
|
|
|
|
mat2 = catima.Material(12.01,6)
|
|
self.assertEqual(mat2.ncomponents(),1)
|
|
self.assertEqual(mat2.molar_mass(),12.01)
|
|
|
|
mat3 = catima.Material([[12,6,1]])
|
|
self.assertEqual(mat3.ncomponents(),1)
|
|
self.assertEqual(mat3.molar_mass(),12)
|
|
|
|
water = catima.Material([[1,1,2],[16,8,1]])
|
|
self.assertEqual(water.molar_mass(),18)
|
|
|
|
mat2 = catima.Material(0,6)
|
|
self.assertEqual(mat2.ncomponents(),1)
|
|
self.assertAlmostEqual(mat2.molar_mass(),12,1)
|
|
|
|
mat5 = catima.Material(0,6,density=1.9, thickness=0.5)
|
|
self.assertEqual(mat5.ncomponents(),1)
|
|
self.assertEqual(mat5.thickness(),0.5)
|
|
self.assertEqual(mat5.density(),1.9)
|
|
|
|
mat6 = catima.Material(0,6,density=1.9, thickness=0.5,i_potential=80.0)
|
|
self.assertEqual(mat6.ncomponents(),1)
|
|
self.assertEqual(mat6.thickness(),0.5)
|
|
self.assertEqual(mat6.density(),1.9)
|
|
self.assertEqual(mat6.I(),80.0)
|
|
|
|
# copy
|
|
mat3.density(1.8)
|
|
matc = catima.Material(mat3)
|
|
self.assertEqual(matc.ncomponents(),1)
|
|
self.assertEqual(matc.molar_mass(),12)
|
|
self.assertEqual(matc.density(),1.8)
|
|
mat3.density(2.0)
|
|
self.assertEqual(matc.density(),1.8)
|
|
self.assertEqual(mat3.density(),2.0)
|
|
|
|
|
|
def test_default_material(self):
|
|
m1 = catima.get_material(6);
|
|
self.assertAlmostEqual(m1.molar_mass(),12,1)
|
|
self.assertEqual(m1.ncomponents(),1)
|
|
self.assertAlmostEqual(m1.density(),2.0,1)
|
|
|
|
m2 = catima.get_material(catima.material.Water)
|
|
self.assertEqual(m2.ncomponents(),2)
|
|
self.assertAlmostEqual(m2.molar_mass(),18,1)
|
|
self.assertAlmostEqual(m2.density(),1.0,1)
|
|
|
|
m3 = catima.get_material(3001)
|
|
self.assertEqual(m3.ncomponents(),0)
|
|
self.assertAlmostEqual(m3.molar_mass(),0,1)
|
|
self.assertAlmostEqual(m3.density(),0.0,1)
|
|
|
|
def test_layers(self):
|
|
graphite = catima.get_material(6)
|
|
graphite.thickness(0.5)
|
|
p10 = catima.get_material(catima.material.P10)
|
|
p10.thickness(0.01)
|
|
n2 = catima.get_material(7)
|
|
n2.thickness(0.02)
|
|
|
|
mat= catima.Layers()
|
|
self.assertEqual(mat.num(),0)
|
|
mat.add(graphite)
|
|
self.assertEqual(mat.num(),1)
|
|
self.assertAlmostEqual(mat[0].molar_mass(),12,1)
|
|
self.assertAlmostEqual(mat[0].thickness(),0.5,1)
|
|
self.assertAlmostEqual(mat[0].density(),2.0,1)
|
|
|
|
mat.add(p10)
|
|
self.assertEqual(mat.num(),2)
|
|
|
|
graphite.thickness(1.0)
|
|
graphite.density(1.8)
|
|
mat.add(graphite)
|
|
self.assertEqual(mat.num(),3)
|
|
self.assertAlmostEqual(mat[2].molar_mass(),12,1)
|
|
self.assertAlmostEqual(mat[0].thickness(),0.5,1)
|
|
self.assertAlmostEqual(mat[0].density(),2.0,1)
|
|
self.assertAlmostEqual(mat[2].thickness(),1.0,1)
|
|
self.assertAlmostEqual(mat[2].density(),1.8,1)
|
|
a = mat[2]
|
|
a.thickness(1.2)
|
|
a.density(1.9)
|
|
self.assertAlmostEqual(mat[2].thickness(),1.2,1)
|
|
self.assertAlmostEqual(mat[2].density(),1.9,1)
|
|
|
|
self.assertEqual(mat.num(),3)
|
|
with self.assertRaises(ValueError):
|
|
mat[3]
|
|
|
|
mat2 = catima.Layers()
|
|
mat2.add(n2)
|
|
self.assertEqual(mat2.num(),1)
|
|
|
|
mats = mat2 + mat
|
|
self.assertEqual(mats.num(),4)
|
|
self.assertAlmostEqual(mats[0].molar_mass(),14,1)
|
|
self.assertEqual(mats[0].thickness(),0.02)
|
|
self.assertAlmostEqual(mats[1].molar_mass(),12,1)
|
|
self.assertAlmostEqual(mats[3].molar_mass(),12,1)
|
|
|
|
n2.thickness(0.5)
|
|
mats = mats + n2
|
|
self.assertEqual(mats.num(),5)
|
|
self.assertAlmostEqual(mats[0].molar_mass(),14,1)
|
|
self.assertEqual(mats[0].thickness(),0.02)
|
|
self.assertAlmostEqual(mats[4].molar_mass(),14,1)
|
|
self.assertEqual(mats[4].thickness(),0.5)
|
|
|
|
def test_material_calculation(self):
|
|
water = catima.get_material(catima.material.Water)
|
|
p = catima.Projectile(1,1)
|
|
|
|
p(1000)
|
|
res = catima.calculate(p,water)
|
|
res2 = catima.dedx(p,water)
|
|
self.assertAlmostEqual(res.dEdxi,2.23,1)
|
|
self.assertAlmostEqual(res.dEdxi,res2,3)
|
|
res = catima.calculate(p(500),water)
|
|
res2 = catima.dedx(p,water)
|
|
self.assertAlmostEqual(res.dEdxi,2.76,1)
|
|
self.assertAlmostEqual(res.dEdxi,res2,3)
|
|
|
|
res = catima.calculate(p(9),water)
|
|
res2 = catima.dedx(p,water)
|
|
self.assertAlmostEqual(res.dEdxi,51.17,1)
|
|
self.assertAlmostEqual(res.dEdxi,res2,3)
|
|
res = catima.calculate(p(9),water)
|
|
res = catima.calculate(p(9),water)
|
|
self.assertAlmostEqual(res.dEdxi,51.17,1)
|
|
|
|
p(900000)
|
|
res = catima.calculate(p,water)
|
|
res2 = catima.dedx_from_range(p,water)
|
|
self.assertAlmostEqual(res.dEdxi,res2,3)
|
|
|
|
def test_config(self):
|
|
water = catima.get_material(catima.material.Water)
|
|
water.density(1.0)
|
|
water.thickness(1.0)
|
|
p = catima.Projectile(1,1)
|
|
conf = catima.Config()
|
|
conf.calculation = catima.omega_types.bohr
|
|
conf2 = catima.Config()
|
|
conf2.calculation = catima.omega_types.atima
|
|
self.assertEqual(conf.calculation, 1)
|
|
self.assertEqual(conf2.calculation, 0)
|
|
p(1000)
|
|
res = catima.calculate(p,water,config=conf)
|
|
res2 = catima.calculate(p,water,config=conf2)
|
|
self.assertAlmostEqual(res.dEdxi,res2.dEdxi,delta=1e-6)
|
|
self.assertNotAlmostEqual(res.sigma_E,res2.sigma_E,delta=1e-4)
|
|
self.assertNotAlmostEqual(res.sigma_r,res2.sigma_r,delta=1e-4)
|
|
|
|
|
|
def test_eout(self):
|
|
graphite = catima.get_material(6)
|
|
graphite.thickness(0.5)
|
|
p = catima.Projectile(12,6)
|
|
res = catima.calculate(p(1000),graphite)
|
|
res2 = catima.energy_out(p(1000),graphite)
|
|
self.assertAlmostEqual(res.Eout,997.077,1)
|
|
self.assertAlmostEqual(res.Eout,res2,3)
|
|
|
|
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,energies, graphite)
|
|
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,energies, graphite)
|
|
self.assertEqual(len(res2),len(energies))
|
|
self.assertEqual(len(res2),3)
|
|
for i,e in enumerate(energies):
|
|
r = catima.dedx_from_range(p(e), graphite)
|
|
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)
|
|
graphite = catima.get_material(6)
|
|
graphite.thickness(1.0)
|
|
graphite.density(2.0)
|
|
|
|
mat = catima.Layers()
|
|
mat.add(water)
|
|
mat.add(graphite)
|
|
res = catima.calculate_layers(p(1000),mat)
|
|
self.assertEqual(len(res.results),2)
|
|
self.assertAlmostEqual(res.total_result.Eout,926.3,1)
|
|
self.assertAlmostEqual(res.total_result.sigma_a,0.00269,1)
|
|
self.assertAlmostEqual(res.Eout,926.3,1)
|
|
self.assertAlmostEqual(res.sigma_a,0.00269,4)
|
|
self.assertAlmostEqual(res.tof,0.402,2)
|
|
self.assertAlmostEqual(res.Eloss,884,0)
|
|
|
|
self.assertAlmostEqual(res[0].Eout,932.24,0)
|
|
self.assertAlmostEqual(res[1].Eout,926.3,0)
|
|
self.assertAlmostEqual(res[0].sigma_a,0.0025,3)
|
|
self.assertAlmostEqual(res[1].sigma_a,0.000774,4)
|
|
self.assertAlmostEqual(res[0].range,107.1,0)
|
|
self.assertAlmostEqual(res[1].range,111.3,0)
|
|
|
|
def test_energy_table(self):
|
|
table = catima.get_energy_table()
|
|
self.assertEqual(table[0],catima.energy_table(0))
|
|
self.assertEqual(table[10],catima.energy_table(10))
|
|
self.assertEqual(len(table),catima.max_datapoints)
|
|
|
|
def test_storage(self):
|
|
p = catima.Projectile(12,6)
|
|
water = catima.get_material(catima.material.Water)
|
|
water.thickness(10.0)
|
|
graphite = catima.get_material(6)
|
|
graphite.thickness(1.0)
|
|
|
|
data = catima.get_data(p, water)
|
|
et = catima.get_energy_table()
|
|
|
|
self.assertEqual(len(data),3)
|
|
self.assertEqual(len(data[0]),len(et))
|
|
|
|
res = catima.calculate(p(et[10]),water)
|
|
self.assertAlmostEqual(res.range,data[0][10],6)
|
|
self.assertAlmostEqual(catima.range(p,water),data[0][10],6)
|
|
#self.assertAlmostEqual(catima.domega2de(p,water),data[1][10],6)
|
|
|
|
res = catima.calculate(p(et[100]),water)
|
|
self.assertAlmostEqual(res.range,data[0][100],6)
|
|
self.assertAlmostEqual(catima.range(p,water),data[0][100],6)
|
|
#self.assertAlmostEqual(catima.domega2de(p,water),data[1][100],6)
|
|
|
|
res = catima.calculate(p(et[200]),water)
|
|
self.assertAlmostEqual(res.range,data[0][200],6)
|
|
self.assertAlmostEqual(catima.range(p,water),data[0][200],6)
|
|
#self.assertAlmostEqual(catima.domega2de(p,water),data[1][200],6)
|
|
|
|
res = catima.calculate(p(et[401]),water)
|
|
self.assertAlmostEqual(res.range,data[0][401],6)
|
|
self.assertAlmostEqual(catima.range(p,water),data[0][401],6)
|
|
#self.assertAlmostEqual(catima.domega2de(p,water),data[1][401],6)
|
|
|
|
def test_python_storage_access(self):
|
|
|
|
p = catima.Projectile(12,6)
|
|
water = catima.get_material(catima.material.Water)
|
|
water.thickness(10.0)
|
|
graphite = catima.get_material(6)
|
|
graphite.thickness(1.0)
|
|
data = catima.get_data(p, water)
|
|
self.assertEqual(catima.max_storage_data,60) # assuming 60, this has to be changed manually
|
|
r = catima.storage_info()
|
|
|
|
#self.assertAlmostEqual(catima.da2de(p,water,et[100]),data[2][100],6)
|
|
#self.assertAlmostEqual(catima.da2de(p,water,et[400]),data[2][400],6)
|
|
|
|
if __name__ == "__main__":
|
|
unittest.main()
|