Merge pull request #42 from temken/dev

Dev
temken · Jan 5, 2023 · 658c42a · 658c42a
2 parents 3b37c1b + b961b49
commit 658c42a
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Showing 2 changed files with 20 additions and 3 deletions.
diff --git a/include/obscura/Target_Atom.hpp b/include/obscura/Target_Atom.hpp
@@ -31,6 +31,8 @@ struct Atomic_Electron
 	double binding_energy;
 	unsigned int number_of_secondary_electrons;
 
+	bool have_warned = false;
+
 	Atomic_Electron(std::string element, int N, int L, double Ebinding, double kMin, double kMax, double qMin, double qMax, unsigned int neSecondary = 0);
 
 	double Atomic_Response_Function(int response, double q, double E);

diff --git a/src/Target_Atom.cpp b/src/Target_Atom.cpp
@@ -41,9 +41,18 @@ Atomic_Electron::Atomic_Electron(std::string element, int N, int L, double Ebind
 double Atomic_Electron::Atomic_Response_Function(int response, double q, double E)
 {
 	double k = sqrt(2.0 * mElectron * E);
-	if(q > q_max || k > k_max || k < k_min)
+	if(q > q_max || k > 1.000001 * k_max || k < 0.999999 * k_min)
 	{
-		std::cerr << "Warning in Atomic_Response_Function() : q = " << q / keV << " keV or k = " << k / keV << "keV out of range for " << name << ". Returning 0." << std::endl;
+		if(!have_warned)
+		{
+			std::cerr << "Warning in Atomic_Response_Function(): Arguments of response " << response << " of " << name << " are out of bound." << std::endl;
+			if(q > q_max)
+				std::cerr << "\tq = " << q / keV << " keV\ttabulated q domain: [" << q_min / keV << ", " << q_max / keV << "] keV" << std::endl;
+			if(k > k_max || k < k_min)
+				std::cerr << "\tk = " << k / keV << " keV\ttabulated k domain: [" << k_min / keV << ", " << k_max / keV << "] keV" << std::endl;
+			std::cerr << "\tReturning 0. (This warning will not be repeated for " << name << ".)" << std::endl;
+			have_warned = true;
+		}
 		return 0.0;
 	}
 	else if(response == 1)
@@ -65,7 +74,13 @@ double Atomic_Electron::Atomic_Response_Function(int response, double q, double
 			return atomic_response_interpolations[response - 1](k, q);
 		else
 		{
-			std::cerr << "Warning in Atomic_Response_Function " << response << ": q = " << q / keV << " is below q_min. Returning 0." << std::endl;
+			if(!have_warned)
+			{
+				std::cerr << "Warning in Atomic_Response_Function(): Arguments of response " << response << " of " << name << " are out of bound." << std::endl
+						  << "\tq = " << q / keV << " keV\ttabulated q domain: [" << q_min / keV << ", " << q_max / keV << "] keV" << std::endl
+						  << "\tReturning 0. (This warning will not be repeated for " << name << ".)" << std::endl;
+				have_warned = true;
+			}
 			return 0.0;
 		}
 	}