FormFactorTruncatedCube.cpp

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//  ************************************************************************************************
//
//  BornAgain: simulate and fit reflection and scattering
//
//! @file      Sample/HardParticle/FormFactorTruncatedCube.cpp
//! @brief     Implements class FormFactorTruncatedCube.
//!
//! @homepage  http://www.bornagainproject.org
//! @license   GNU General Public License v3 or higher (see COPYING)
//! @copyright Forschungszentrum Jülich GmbH 2018
//! @authors   Scientific Computing Group at MLZ (see CITATION, AUTHORS)
//
//  ************************************************************************************************
 
#include "Sample/HardParticle/FormFactorTruncatedCube.h"
 
const PolyhedralTopology FormFactorTruncatedCube::topology = {
    {{{0, 1, 7, 6, 9, 10, 4, 3}, true},
     {{0, 2, 1}, false},
     {{3, 4, 5}, false},
     {{9, 11, 10}, false},
     {{6, 7, 8}, false},
     {{0, 3, 5, 17, 15, 12, 14, 2}, true},
     {{4, 10, 11, 23, 22, 16, 17, 5}, true},
     {{1, 2, 14, 13, 19, 20, 8, 7}, true},
     {{6, 8, 20, 18, 21, 23, 11, 9}, true},
     {{15, 17, 16}, false},
     {{12, 13, 14}, false},
     {{18, 20, 19}, false},
     {{21, 22, 23}, false},
     {{12, 15, 16, 22, 21, 18, 19, 13}, true}},
    true};
 
FormFactorTruncatedCube::FormFactorTruncatedCube(const std::vector<double> P)
    : IFormFactorPolyhedron(
        {"TruncatedCube",
         "class_tooltip",
         {{"Length", "nm", "untruncated edge length", 0, +INF, 0},
          {"RemovedLength", "nm", "edge length removed from one corner", 0, +INF, 0}}},
        P)
    , m_length(m_P[0])
    , m_removed_length(m_P[1])
{
    onChange();
}
 
FormFactorTruncatedCube::FormFactorTruncatedCube(double length, double removed_length)
    : FormFactorTruncatedCube(std::vector<double>{length, removed_length})
{
}
 
void FormFactorTruncatedCube::onChange()
{
    if (m_removed_length > 0.5 * m_length) {
        std::ostringstream ostr;
        ostr << "::FormFactorTruncatedCube() -> Error in class initialization ";
        ostr << "with parameters 'length':" << m_length;
        ostr << " 'removed_length':" << m_removed_length << "\n\n";
        ostr << "Check for removed_length <= 0.5*length failed.";
        throw std::runtime_error(ostr.str());
    }
 
    double a = m_length / 2;
    double c = a - m_removed_length;
 
    setPolyhedron(topology, -a,
                  {{-c, -a, -a}, {-a, -c, -a}, {-a, -a, -c}, {c, -a, -a}, {a, -c, -a}, {a, -a, -c},
                   {-c, a, -a},  {-a, c, -a},  {-a, a, -c},  {c, a, -a},  {a, c, -a},  {a, a, -c},
                   {-c, -a, a},  {-a, -c, a},  {-a, -a, c},  {c, -a, a},  {a, -c, a},  {a, -a, c},
                   {-c, a, a},   {-a, c, a},   {-a, a, c},   {c, a, a},   {a, c, a},   {a, a, c}});
}