diff --git a/lib/atom.cpp b/lib/atom.cpp index 3a2dbd6..ab897e2 100644 --- a/lib/atom.cpp +++ b/lib/atom.cpp @@ -76,16 +76,16 @@ double TransitionMatrix::totalRate() { * @param Z: Atomic number (nuclear charge, can be fractional) * @param m: Mass of the orbiting particle (e.g. electron) * @param A: Atomic mass (amus, ignored if -1) - * @param radius: Solid sphere equivalent radius (fm, ignored if -1) * @param radius_model: Which NuclearRadiusModel to use + * @param radius: Solid sphere equivalent radius (fm, ignored if -1) * @param fc: Central point of the grid (corresponding to i = 0), as a * fraction of 1/(Z*mu), the 1s orbital radius for this atom, or of the nuclear * radius, depending on which one is bigger (default = 1) * @param dx: Logarithmic step of the grid (default = 0.005) * @retval */ -Atom::Atom(int Z, double m, int A, double radius, NuclearRadiusModel radius_model, double fc, - double dx) { +Atom::Atom(int Z, double m, int A, NuclearRadiusModel radius_model, + double radius, double fc, double dx) { // Set the properties this->Z = Z; this->A = A; @@ -328,8 +328,8 @@ double Atom::sphereNuclearModel(int Z, int A) { * @param Z: Atomic number (nuclear charge, can be fractional) * @param m: Mass of the orbiting particle (e.g. electron) * @param A: Atomic mass (amus, ignored if -1) - * @param radius: Solid sphere equivalent radius (fm, ignored if -1) * @param radius_model: Which NuclearRadiusModel to use + * @param radius: Solid sphere equivalent radius (fm, ignored if -1) * @param fc: Central point of the grid (corresponding to i = 0), as a * fraction of 1/(Z*mu), the 1s orbital radius for this atom, or of the nuclear * radius, depending on which one is bigger (default = 1) @@ -339,9 +339,9 @@ double Atom::sphereNuclearModel(int Z, int A) { * (default = -1) * @retval */ -DiracAtom::DiracAtom(int Z, double m, int A, double radius, NuclearRadiusModel radius_model, - double fc, double dx, int ideal_minshell) - : Atom(Z, m, A, radius, radius_model, fc, dx) { +DiracAtom::DiracAtom(int Z, double m, int A, NuclearRadiusModel radius_model, + double radius, double fc, double dx, int ideal_minshell) + : Atom(Z, m, A, radius_model, radius, fc, dx) { restE = mu * pow(Physical::c, 2); LOG(DEBUG) << "Rest energy = " << restE / Physical::eV << " eV\n"; idshell = ideal_minshell; @@ -1049,7 +1049,6 @@ TransitionMatrix DiracAtom::getTransitionProbabilities(int n1, int l1, bool s1, return tmat; } -DiracIdealAtom::DiracIdealAtom(int Z, double m, int A, double radius, - NuclearRadiusModel radius_model, double fc, - double dx) - : DiracAtom(Z, m, A, radius, radius_model, fc, dx, 1) {} +DiracIdealAtom::DiracIdealAtom(int Z, double m, int A, NuclearRadiusModel radius_model, + double radius, double fc,double dx) + : DiracAtom(Z, m, A, radius_model, radius, fc, dx, 1) {} diff --git a/lib/atom.hpp b/lib/atom.hpp index 551a3e6..19a0bdb 100644 --- a/lib/atom.hpp +++ b/lib/atom.hpp @@ -110,9 +110,8 @@ class Atom { EConfPotential V_econf; public: - Atom(int Z = 1, double m = 1, int A = -1, double radius = -1, - NuclearRadiusModel radius_model = POINT, double fc = 1.0, - double dx = 0.005); + Atom(int Z = 1, double m = 1, int A = -1, NuclearRadiusModel radius_model = POINT, + double radius = -1, double fc = 1.0,double dx = 0.005); // Basic getters double getZ() { @@ -188,9 +187,8 @@ class DiracAtom : public Atom { double in_eps = 1e-5; int min_n = 1000; - DiracAtom(int Z = 1, double m = 1, int A = -1, double radius = -1, - NuclearRadiusModel radius_model = POINT, double fc = 1.0, - double dx = 0.005, int ideal_minshell = -1); + DiracAtom(int Z = 1, double m = 1, int A = -1, NuclearRadiusModel radius_model = POINT, + double radius = -1, double fc = 1.0, double dx = 0.005, int ideal_minshell = -1); double getRestE() { return restE; @@ -221,9 +219,8 @@ class DiracAtom : public Atom { // the analytical hydrogen-like solution class DiracIdealAtom : public DiracAtom { public: - DiracIdealAtom(int Z = 1, double m = 1, int A = -1, double radius = -1, - NuclearRadiusModel radius_model = POINT, double fc = 1.0, - double dx = 0.005); + DiracIdealAtom(int Z = 1, double m = 1, int A = -1, NuclearRadiusModel radius_model = POINT, + double radius = -1, double fc = 1.0, double dx = 0.005); }; #endif \ No newline at end of file diff --git a/lib/config.cpp b/lib/config.cpp index 1d7505f..d18c5f5 100644 --- a/lib/config.cpp +++ b/lib/config.cpp @@ -103,7 +103,7 @@ DiracAtom MuDiracInputFile::makeAtom() { // Prepare the DiracAtom DiracAtom da; - da = DiracAtom(Z, m, A, radius, nucmodel, fc, dx, idshell); + da = DiracAtom(Z, m, A, nucmodel, radius, fc, dx, idshell); da.Etol = this->getDoubleValue("energy_tol"); da.Edamp = this->getDoubleValue("energy_damp"); da.max_dE_ratio = this->getDoubleValue("max_dE_ratio"); diff --git a/test/test_atom.cpp b/test/test_atom.cpp index da06393..689a771 100644 --- a/test/test_atom.cpp +++ b/test/test_atom.cpp @@ -128,7 +128,7 @@ TEST_CASE("Dirac Atom - transitions", "[DiracAtom]") REQUIRE(tmat.totalRate() * Physical::s == Approx(1.0775e+07).epsilon(1e-4)); // Iron-like atom - DiracAtom daFe = DiracAtom(26, 1, 56, -1 , NuclearRadiusModel::SPHERE); + DiracAtom daFe = DiracAtom(26, 1, 56, NuclearRadiusModel::SPHERE, -1); // 3d3/2 => 3p1/2 tmat = daFe.getTransitionProbabilities(3, 2, false, 3, 1, false); diff --git a/test/test_kappaa.cpp b/test/test_kappaa.cpp index 711785d..1275fa8 100644 --- a/test/test_kappaa.cpp +++ b/test/test_kappaa.cpp @@ -35,7 +35,7 @@ int main(int argc, char *argv[]) // Now, simulations for (int i = 0; i < dataZ.size(); ++i) { - DiracAtom da = DiracAtom(dataZ[i], Physical::m_mu, dataA[i], -1, SPHERE); + DiracAtom da = DiracAtom(dataZ[i], Physical::m_mu, dataA[i], SPHERE); DiracState p2 = da.getState(2, 1, false); DiracState s1 = da.getState(1, 0, false); diff --git a/test/test_lines.cpp b/test/test_lines.cpp index 20c0042..a741737 100644 --- a/test/test_lines.cpp +++ b/test/test_lines.cpp @@ -21,14 +21,14 @@ Table VI */ vector energyCorrections(int Z, int n1, int l1, bool s1, int n2, int l2, - bool s2, NuclearRadiusModel rmodel = SPHERE, double radius= -1) + bool s2, NuclearRadiusModel rmodel = SPHERE) { vector E_corr; DiracAtom da_point = DiracAtom(Z, Physical::m_mu, getElementMainIsotope(Z)); DiracAtom da_sphere = - DiracAtom(Z, Physical::m_mu, getElementMainIsotope(Z), radius, rmodel); + DiracAtom(Z, Physical::m_mu, getElementMainIsotope(Z), rmodel); DiracAtom da_uehling = - DiracAtom(Z, Physical::m_mu, getElementMainIsotope(Z), radius, rmodel); + DiracAtom(Z, Physical::m_mu, getElementMainIsotope(Z), rmodel); da_uehling.setUehling(true, 100); double E_point = da_point.getState(n2, l2, s2).E;