Add 'precision' non-mandatory options for ForceEnergy and PotentialEn…

…ergy observables
lorenzo-rovigatti · Apr 20, 2024 · 7def8c7 · 7def8c7
1 parent dbdc726
commit 7def8c7
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Showing 4 changed files with 23 additions and 3 deletions.
diff --git a/src/Observables/ForceEnergy.cpp b/src/Observables/ForceEnergy.cpp
@@ -19,6 +19,7 @@ void ForceEnergy::get_settings(input_file &my_inp, input_file &sim_inp) {
 	BaseObservable::get_settings(my_inp, sim_inp);
 
 	getInputString(&my_inp, "print_group", _group_name, 0);
+	getInputString(&my_inp, "precision", _precision, 0);
 }
 
 std::string ForceEnergy::get_output_string(llint curr_step) {
@@ -37,5 +38,10 @@ std::string ForceEnergy::get_output_string(llint curr_step) {
 	}
 	U /= _config_info->N();
 
-	return Utils::sformat("% 10.6lf", U);
+	if (_precision == "") {
+		return Utils::sformat("% 10.6lf", U);
+	}
+	else {
+		return Utils::sformat("% 10." + _precision + "lf", U);
+	}
 }
diff --git a/src/Observables/ForceEnergy.h b/src/Observables/ForceEnergy.h
@@ -22,6 +22,7 @@
 class ForceEnergy: public BaseObservable {
 protected:
 	std::string _group_name;
+	std::string _precision;
 public:
 	ForceEnergy();
 	virtual ~ForceEnergy();

diff --git a/src/Observables/PotentialEnergy.cpp b/src/Observables/PotentialEnergy.cpp
@@ -32,20 +32,31 @@ void PotentialEnergy::get_settings(input_file &my_inp, input_file &sim_inp) {
 	BaseObservable::get_settings(my_inp, sim_inp);
 
 	getInputBool(&my_inp, "split", &_split, 0);
+	getInputString(&my_inp, "precision", _precision, 0);
 }
 
 std::string PotentialEnergy::get_output_string(llint curr_step) {
 	if(!_split) {
 		number energy = get_potential_energy();
 
-		return Utils::sformat("% 10.6lf", energy);
+		if (_precision == "") {
+			return Utils::sformat("% 10.6lf", energy);
+		}
+		else {
+			return Utils::sformat("% 10." + _precision + "lf", energy);
+		}
 	}
 	else {
 		std::string res("");
 		auto energies = _config_info->interaction->get_system_energy_split(_config_info->particles(), _config_info->lists);
 		for(auto energy_item : energies) {
 			number contrib = energy_item.second / _config_info->N();
-			res = Utils::sformat("%s % 10.6lf", res.c_str(), contrib);
+			if (_precision == "") {
+				res = Utils::sformat("%s % 10.6lf", res.c_str(), contrib);
+			}
+			else {
+				res = Utils::sformat("%s % 10." + _precision + "lf", res.c_str(), contrib);
+			}
 		}
 
 		return res;

diff --git a/src/Observables/PotentialEnergy.h b/src/Observables/PotentialEnergy.h
@@ -24,6 +24,8 @@
 class PotentialEnergy: public BaseObservable {
 protected:
 	bool _split;
+	std::string _precision;
+
 public:
 	PotentialEnergy();
 	virtual ~PotentialEnergy();