From 73d3eec8a57c920d1d2e4c304e58923910d9d12d Mon Sep 17 00:00:00 2001
From: Giovanni Bussi <giovanni.bussi@gmail.com>
Date: Tue, 28 Aug 2018 18:37:02 +0200
Subject: [PATCH] Removed repeated constants
Lepton constants are now placed in lepton. They can be
accessed with a function lepton::Constants() so as to
avoid initialization problems.
cc: @valsson
---
src/function/Matheval.cpp | 21 ++-------------------
src/lepton/Lepton.h | 10 ++++++++++
src/lepton/Parser.cpp | 20 ++++++++++++++++++++
src/tools/SwitchingFunction.cpp | 20 ++------------------
src/tools/Tools.cpp | 18 +-----------------
src/ves/BF_Custom.cpp | 25 ++++---------------------
src/ves/TD_Custom.cpp | 19 +------------------
7 files changed, 40 insertions(+), 93 deletions(-)
diff --git a/src/function/Matheval.cpp b/src/function/Matheval.cpp
index 431067c4b..b3a0f7b78 100644
--- a/src/function/Matheval.cpp
+++ b/src/function/Matheval.cpp
@@ -29,23 +29,6 @@ using namespace std;
namespace PLMD {
namespace function {
-const static std::map<string, double> leptonConstants= {
- {"e", std::exp(1.0)},
- {"log2e", 1.0/std::log(2.0)},
- {"log10e", 1.0/std::log(10.0)},
- {"ln2", std::log(2.0)},
- {"ln10", std::log(10.0)},
- {"pi", pi},
- {"pi_2", pi*0.5},
- {"pi_4", pi*0.25},
-// {"1_pi", 1.0/pi},
-// {"2_pi", 2.0/pi},
-// {"2_sqrtpi", 2.0/std::sqrt(pi)},
- {"sqrt2", std::sqrt(2.0)},
- {"sqrt1_2", std::sqrt(0.5)}
-};
-
-
//+PLUMEDOC FUNCTION MATHEVAL
/*
Calculate a combination of variables using a matheval expression.
@@ -253,7 +236,7 @@ Matheval::Matheval(const ActionOptions&ao):
for(unsigned i=0; i<var.size(); i++) log.printf(" %s",var[i].c_str());
log.printf("\n");
- lepton::ParsedExpression pe=lepton::Parser::parse(func).optimize(leptonConstants);
+ lepton::ParsedExpression pe=lepton::Parser::parse(func).optimize(lepton::Constants());
log<<" function as parsed by lepton: "<<pe<<"\n";
expression=pe.createCompiledExpression();
for(auto &p: expression.getVariables()) {
@@ -263,7 +246,7 @@ Matheval::Matheval(const ActionOptions&ao):
}
log<<" derivatives as computed by lepton:\n";
for(unsigned i=0; i<getNumberOfArguments(); i++) {
- lepton::ParsedExpression pe=lepton::Parser::parse(func).differentiate(var[i]).optimize(leptonConstants);
+ lepton::ParsedExpression pe=lepton::Parser::parse(func).differentiate(var[i]).optimize(lepton::Constants());
log<<" "<<pe<<"\n";
expression_deriv[i]=pe.createCompiledExpression();
}
diff --git a/src/lepton/Lepton.h b/src/lepton/Lepton.h
index a2ff54073..b1afd223e 100644
--- a/src/lepton/Lepton.h
+++ b/src/lepton/Lepton.h
@@ -64,6 +64,16 @@
* USE OR OTHER DEALINGS IN THE SOFTWARE. *
* -------------------------------------------------------------------------- */
+#include <map>
+#include <cmath>
+#include <string>
+
+namespace PLMD {
+namespace lepton {
+const std::map<std::string, double> & Constants();
+}
+}
+
#include "CompiledExpression.h"
#include "CustomFunction.h"
#include "ExpressionProgram.h"
diff --git a/src/lepton/Parser.cpp b/src/lepton/Parser.cpp
index 3096c361b..240b8857b 100644
--- a/src/lepton/Parser.cpp
+++ b/src/lepton/Parser.cpp
@@ -82,8 +82,28 @@ static const bool LeftAssociative[] = {true, true, true, true, false};
static const int Precedence[] = {0, 0, 1, 1, 3};
static const Operation::Id OperationId[] = {Operation::ADD, Operation::SUBTRACT, Operation::MULTIPLY, Operation::DIVIDE, Operation::POWER};
+const std::map<std::string, double> & Constants() {
+ static const std::map<std::string, double> constants = {
+ {"e", std::exp(1.0)},
+ {"log2e", 1.0/std::log(2.0)},
+ {"log10e", 1.0/std::log(10.0)},
+ {"ln2", std::log(2.0)},
+ {"ln10", std::log(10.0)},
+ {"pi", 3.14159265358979323844},
+ {"pi_2", 3.14159265358979323844*0.5},
+ {"pi_4", 3.14159265358979323844*0.25},
+// {"1_pi", 1.0/pi},
+// {"2_pi", 2.0/pi},
+// {"2_sqrtpi", 2.0/std::sqrt(pi)},
+ {"sqrt2", std::sqrt(2.0)},
+ {"sqrt1_2", std::sqrt(0.5)}
+ };
+ return constants;
+};
+
}
+
class lepton::ParseToken {
public:
enum Type {Number, Operator, Variable, Function, LeftParen, RightParen, Comma, Whitespace};
diff --git a/src/tools/SwitchingFunction.cpp b/src/tools/SwitchingFunction.cpp
index 27e391972..7f37b8efe 100644
--- a/src/tools/SwitchingFunction.cpp
+++ b/src/tools/SwitchingFunction.cpp
@@ -29,22 +29,6 @@
using namespace std;
namespace PLMD {
-const static std::map<string, double> leptonConstants= {
- {"e", std::exp(1.0)},
- {"log2e", 1.0/std::log(2.0)},
- {"log10e", 1.0/std::log(10.0)},
- {"ln2", std::log(2.0)},
- {"ln10", std::log(10.0)},
- {"pi", pi},
- {"pi_2", pi*0.5},
- {"pi_4", pi*0.25},
-// {"1_pi", 1.0/pi},
-// {"2_pi", 2.0/pi},
-// {"2_sqrtpi", 2.0/std::sqrt(pi)},
- {"sqrt2", std::sqrt(2.0)},
- {"sqrt1_2", std::sqrt(0.5)}
-};
-
//+PLUMEDOC INTERNAL switchingfunction
/*
Functions that measure whether values are less than a certain quantity.
@@ -263,7 +247,7 @@ void SwitchingFunction::set(const std::string & definition,std::string& errormsg
type=leptontype;
std::string func;
Tools::parse(data,"FUNC",func);
- lepton::ParsedExpression pe=lepton::Parser::parse(func).optimize(leptonConstants);
+ lepton::ParsedExpression pe=lepton::Parser::parse(func).optimize(lepton::Constants());
lepton_func=func;
expression.resize(OpenMP::getNumThreads());
for(auto & e : expression) e=pe.createCompiledExpression();
@@ -284,7 +268,7 @@ void SwitchingFunction::set(const std::string & definition,std::string& errormsg
}
std::string arg="x";
if(leptonx2) arg="x2";
- lepton::ParsedExpression ped=lepton::Parser::parse(func).differentiate(arg).optimize(leptonConstants);
+ lepton::ParsedExpression ped=lepton::Parser::parse(func).differentiate(arg).optimize(lepton::Constants());
expression_deriv.resize(OpenMP::getNumThreads());
for(auto & e : expression_deriv) e=ped.createCompiledExpression();
lepton_ref_deriv.resize(expression_deriv.size());
diff --git a/src/tools/Tools.cpp b/src/tools/Tools.cpp
index b4853b41c..8114e8fbc 100644
--- a/src/tools/Tools.cpp
+++ b/src/tools/Tools.cpp
@@ -35,22 +35,6 @@
using namespace std;
namespace PLMD {
-const static std::map<string, double> leptonConstants= {
- {"e", std::exp(1.0)},
- {"log2e", 1.0/std::log(2.0)},
- {"log10e", 1.0/std::log(10.0)},
- {"ln2", std::log(2.0)},
- {"ln10", std::log(10.0)},
- {"pi", pi},
- {"pi_2", pi*0.5},
- {"pi_4", pi*0.25},
-// {"1_pi", 1.0/pi},
-// {"2_pi", 2.0/pi},
-// {"2_sqrtpi", 2.0/std::sqrt(pi)},
- {"sqrt2", std::sqrt(2.0)},
- {"sqrt1_2", std::sqrt(0.5)}
-};
-
template<class T>
bool Tools::convertToAny(const string & str,T & t) {
istringstream istr(str.c_str());
@@ -89,7 +73,7 @@ bool Tools::convertToReal(const string & str,T & t) {
t=-pi; return true;
}
try {
- t=lepton::Parser::parse(str).evaluate(leptonConstants);
+ t=lepton::Parser::parse(str).evaluate(lepton::Constants());
return true;
} catch(PLMD::lepton::Exception& exc) {
}
diff --git a/src/ves/BF_Custom.cpp b/src/ves/BF_Custom.cpp
index c6d315126..19edeebf5 100644
--- a/src/ves/BF_Custom.cpp
+++ b/src/ves/BF_Custom.cpp
@@ -29,23 +29,6 @@
namespace PLMD {
namespace ves {
-const static std::map<std::string, double> leptonConstants= {
- {"e", std::exp(1.0)},
- {"log2e", 1.0/std::log(2.0)},
- {"log10e", 1.0/std::log(10.0)},
- {"ln2", std::log(2.0)},
- {"ln10", std::log(10.0)},
- {"pi", pi},
- {"pi_2", pi*0.5},
- {"pi_4", pi*0.25},
-// {"1_pi", 1.0/pi},
-// {"2_pi", 2.0/pi},
-// {"2_sqrtpi", 2.0/std::sqrt(pi)},
- {"sqrt2", std::sqrt(2.0)},
- {"sqrt1_2", std::sqrt(0.5)}
-};
-
-
//+PLUMEDOC VES_BASISF BF_CUSTOM
/*
Basis functions given by arbitrary mathematical expressions.
@@ -193,7 +176,7 @@ BF_Custom::BF_Custom(const ActionOptions&ao):
for(unsigned int i=1; i<getNumberOfBasisFunctions(); i++) {
std::string is; Tools::convert(i,is);
try {
- lepton::ParsedExpression pe_value = lepton::Parser::parse(bf_str[i]).optimize(leptonConstants);
+ lepton::ParsedExpression pe_value = lepton::Parser::parse(bf_str[i]).optimize(lepton::Constants());
std::ostringstream tmp_stream; tmp_stream << pe_value;
bf_values_parsed[i] = tmp_stream.str();
bf_values_expressions_[i] = pe_value.createCompiledExpression();
@@ -214,7 +197,7 @@ BF_Custom::BF_Custom(const ActionOptions&ao):
}
try {
- lepton::ParsedExpression pe_deriv = lepton::Parser::parse(bf_str[i]).differentiate(variable_str_).optimize(leptonConstants);
+ lepton::ParsedExpression pe_deriv = lepton::Parser::parse(bf_str[i]).differentiate(variable_str_).optimize(lepton::Constants());
std::ostringstream tmp_stream2; tmp_stream2 << pe_deriv;
bf_derivs_parsed[i] = tmp_stream2.str();
bf_derivs_expressions_[i] = pe_deriv.createCompiledExpression();
@@ -242,7 +225,7 @@ BF_Custom::BF_Custom(const ActionOptions&ao):
}
try {
- lepton::ParsedExpression pe_value = lepton::Parser::parse(transf_str).optimize(leptonConstants);;
+ lepton::ParsedExpression pe_value = lepton::Parser::parse(transf_str).optimize(lepton::Constants());;
std::ostringstream tmp_stream; tmp_stream << pe_value;
transf_value_parsed = tmp_stream.str();
transf_value_expression_ = pe_value.createCompiledExpression();
@@ -263,7 +246,7 @@ BF_Custom::BF_Custom(const ActionOptions&ao):
}
try {
- lepton::ParsedExpression pe_deriv = lepton::Parser::parse(transf_str).differentiate(transf_variable_str_).optimize(leptonConstants);;
+ lepton::ParsedExpression pe_deriv = lepton::Parser::parse(transf_str).differentiate(transf_variable_str_).optimize(lepton::Constants());;
std::ostringstream tmp_stream2; tmp_stream2 << pe_deriv;
transf_deriv_parsed = tmp_stream2.str();
transf_deriv_expression_ = pe_deriv.createCompiledExpression();
diff --git a/src/ves/TD_Custom.cpp b/src/ves/TD_Custom.cpp
index c7a24eb4c..9e77b99de 100644
--- a/src/ves/TD_Custom.cpp
+++ b/src/ves/TD_Custom.cpp
@@ -32,23 +32,6 @@
namespace PLMD {
namespace ves {
-const static std::map<std::string, double> leptonConstants= {
- {"e", std::exp(1.0)},
- {"log2e", 1.0/std::log(2.0)},
- {"log10e", 1.0/std::log(10.0)},
- {"ln2", std::log(2.0)},
- {"ln10", std::log(10.0)},
- {"pi", pi},
- {"pi_2", pi*0.5},
- {"pi_4", pi*0.25},
-// {"1_pi", 1.0/pi},
-// {"2_pi", 2.0/pi},
-// {"2_sqrtpi", 2.0/std::sqrt(pi)},
- {"sqrt2", std::sqrt(2.0)},
- {"sqrt1_2", std::sqrt(0.5)}
-};
-
-
//+PLUMEDOC VES_TARGETDIST TD_CUSTOM
/*
Target distribution given by an arbitrary mathematical expression (static or dynamic).
@@ -186,7 +169,7 @@ TD_Custom::TD_Custom(const ActionOptions& ao):
checkRead();
//
try {
- lepton::ParsedExpression pe=lepton::Parser::parse(func_str).optimize(leptonConstants);
+ lepton::ParsedExpression pe=lepton::Parser::parse(func_str).optimize(lepton::Constants());
log<<" function as parsed by lepton: "<<pe<<"\n";
expression=pe.createCompiledExpression();
}
--
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