moved radius_model infront of radius

As radius will be applicable only after changning radius_model, radius_model should be first

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) {}

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

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");

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);

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);
 

test/test_lines.cpp

@@ -21,14 +21,14 @@ Table VI
 */
 
 vector<double> 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<double> 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;