Merge pull request #2290 from peastman/atan2

Support atan2() in custom expressions

docs-source/usersguide/theory.rst

@@ -1209,7 +1209,7 @@ The following operators are supported: + (add), - (subtract), * (multiply), /
 (divide), and ^ (power).  Parentheses “(“ and “)” may be used for grouping.
 
 The following standard functions are supported: sqrt, exp, log, sin, cos, sec,
-csc, tan, cot, asin, acos, atan, sinh, cosh, tanh, erf, erfc, min, max, abs,
+csc, tan, cot, asin, acos, atan, atan2, sinh, cosh, tanh, erf, erfc, min, max, abs,
 floor, ceil, step, delta, select. step(x) = 0 if x < 0, 1 otherwise.
 delta(x) = 1 if x is 0, 0 otherwise.  select(x,y,z) = z if x = 0, y otherwise.
 Some custom forces allow additional functions to be defined from tabulated values.

libraries/lepton/include/lepton/CompiledExpression.h

@@ -9,7 +9,7 @@
  * Biological Structures at Stanford, funded under the NIH Roadmap for        *
  * Medical Research, grant U54 GM072970. See https://simtk.org.               *
  *                                                                            *
- * Portions copyright (c) 2013-2016 Stanford University and the Authors.      *
+ * Portions copyright (c) 2013-2019 Stanford University and the Authors.      *
  * Authors: Peter Eastman                                                     *
  * Contributors:                                                              *
  *                                                                            *
@@ -103,6 +103,7 @@ private:
 #ifdef LEPTON_USE_JIT
     void generateJitCode();
     void generateSingleArgCall(asmjit::X86Compiler& c, asmjit::X86Xmm& dest, asmjit::X86Xmm& arg, double (*function)(double));
+    void generateTwoArgCall(asmjit::X86Compiler& c, asmjit::X86Xmm& dest, asmjit::X86Xmm& arg1, asmjit::X86Xmm& arg2, double (*function)(double, double));
     std::vector<double> constants;
     asmjit::JitRuntime runtime;
 #endif

libraries/lepton/include/lepton/Operation.h

@@ -9,7 +9,7 @@
  * Biological Structures at Stanford, funded under the NIH Roadmap for        *
  * Medical Research, grant U54 GM072970. See https://simtk.org.               *
  *                                                                            *
- * Portions copyright (c) 2009-2018 Stanford University and the Authors.      *
+ * Portions copyright (c) 2009-2019 Stanford University and the Authors.      *
  * Authors: Peter Eastman                                                     *
  * Contributors:                                                              *
  *                                                                            *
@@ -63,7 +63,7 @@ public:
      * can be used when processing or analyzing parsed expressions.
      */
     enum Id {CONSTANT, VARIABLE, CUSTOM, ADD, SUBTRACT, MULTIPLY, DIVIDE, POWER, NEGATE, SQRT, EXP, LOG,
-             SIN, COS, SEC, CSC, TAN, COT, ASIN, ACOS, ATAN, SINH, COSH, TANH, ERF, ERFC, STEP, DELTA, SQUARE, CUBE, RECIPROCAL,
+             SIN, COS, SEC, CSC, TAN, COT, ASIN, ACOS, ATAN, ATAN2, SINH, COSH, TANH, ERF, ERFC, STEP, DELTA, SQUARE, CUBE, RECIPROCAL,
              ADD_CONSTANT, MULTIPLY_CONSTANT, POWER_CONSTANT, MIN, MAX, ABS, FLOOR, CEIL, SELECT};
     /**
      * Get the name of this Operation.
@@ -137,6 +137,7 @@ public:
     class Asin;
     class Acos;
     class Atan;
+    class Atan2;
     class Sinh;
     class Cosh;
     class Tanh;
@@ -689,6 +690,28 @@ public:
     ExpressionTreeNode differentiate(const std::vector<ExpressionTreeNode>& children, const std::vector<ExpressionTreeNode>& childDerivs, const std::string& variable) const;
 };
 
+class LEPTON_EXPORT Operation::Atan2 : public Operation {
+public:
+    Atan2() {
+    }
+    std::string getName() const {
+        return "atan2";
+    }
+    Id getId() const {
+        return ATAN2;
+    }
+    int getNumArguments() const {
+        return 2;
+    }
+    Operation* clone() const {
+        return new Atan2();
+    }
+    double evaluate(double* args, const std::map<std::string, double>& variables) const {
+        return std::atan2(args[0], args[1]);
+    }
+    ExpressionTreeNode differentiate(const std::vector<ExpressionTreeNode>& children, const std::vector<ExpressionTreeNode>& childDerivs, const std::string& variable) const;
+};
+
 class LEPTON_EXPORT Operation::Sinh : public Operation {
 public:
     Sinh() {

libraries/lepton/src/CompiledExpression.cpp

@@ -6,7 +6,7 @@
  * Biological Structures at Stanford, funded under the NIH Roadmap for        *
  * Medical Research, grant U54 GM072970. See https://simtk.org.               *
  *                                                                            *
- * Portions copyright (c) 2013-2016 Stanford University and the Authors.      *
+ * Portions copyright (c) 2013-2019 Stanford University and the Authors.      *
  * Authors: Peter Eastman                                                     *
  * Contributors:                                                              *
  *                                                                            *
@@ -294,6 +294,9 @@ void CompiledExpression::generateJitCode() {
                 c.movsd(workspaceVar[target[step]], workspaceVar[args[0]]);
                 c.divsd(workspaceVar[target[step]], workspaceVar[args[1]]);
                 break;
+            case Operation::POWER:
+                generateTwoArgCall(c, workspaceVar[target[step]], workspaceVar[args[0]], workspaceVar[args[1]], pow);
+                break;
             case Operation::NEGATE:
                 c.xorps(workspaceVar[target[step]], workspaceVar[target[step]]);
                 c.subsd(workspaceVar[target[step]], workspaceVar[args[0]]);
@@ -325,6 +328,9 @@ void CompiledExpression::generateJitCode() {
             case Operation::ATAN:
                 generateSingleArgCall(c, workspaceVar[target[step]], workspaceVar[args[0]], atan);
                 break;
+            case Operation::ATAN2:
+                generateTwoArgCall(c, workspaceVar[target[step]], workspaceVar[args[0]], workspaceVar[args[1]], atan2);
+                break;
             case Operation::SINH:
                 generateSingleArgCall(c, workspaceVar[target[step]], workspaceVar[args[0]], sinh);
                 break;
@@ -400,4 +406,13 @@ void CompiledExpression::generateSingleArgCall(X86Compiler& c, X86Xmm& dest, X86
     call->setArg(0, arg);
     call->setRet(0, dest);
 }
+
+void CompiledExpression::generateTwoArgCall(X86Compiler& c, X86Xmm& dest, X86Xmm& arg1, X86Xmm& arg2, double (*function)(double, double)) {
+    X86Gp fn = c.newIntPtr();
+    c.mov(fn, imm_ptr((void*) function));
+    CCFuncCall* call = c.call(fn, FuncSignature2<double, double, double>());
+    call->setArg(0, arg1);
+    call->setArg(1, arg2);
+    call->setRet(0, dest);
+}
 #endif

libraries/lepton/src/Operation.cpp

@@ -7,7 +7,7 @@
  * Biological Structures at Stanford, funded under the NIH Roadmap for        *
  * Medical Research, grant U54 GM072970. See https://simtk.org.               *
  *                                                                            *
- * Portions copyright (c) 2009-2015 Stanford University and the Authors.      *
+ * Portions copyright (c) 2009-2019 Stanford University and the Authors.      *
  * Authors: Peter Eastman                                                     *
  * Contributors:                                                              *
  *                                                                            *
@@ -202,6 +202,16 @@ ExpressionTreeNode Operation::Atan::differentiate(const std::vector<ExpressionTr
                               childDerivs[0]);
 }
 
+ExpressionTreeNode Operation::Atan2::differentiate(const std::vector<ExpressionTreeNode>& children, const std::vector<ExpressionTreeNode>& childDerivs, const std::string& variable) const {
+    return ExpressionTreeNode(new Operation::Divide(),
+                              ExpressionTreeNode(new Operation::Subtract(),
+                                                 ExpressionTreeNode(new Operation::Multiply(), children[1], childDerivs[0]),
+                                                 ExpressionTreeNode(new Operation::Multiply(), children[0], childDerivs[1])),
+                              ExpressionTreeNode(new Operation::Add(),
+                                                 ExpressionTreeNode(new Operation::Square(), children[0]),
+                                                 ExpressionTreeNode(new Operation::Square(), children[1])));
+}
+
 ExpressionTreeNode Operation::Sinh::differentiate(const std::vector<ExpressionTreeNode>& children, const std::vector<ExpressionTreeNode>& childDerivs, const std::string& variable) const {
     return ExpressionTreeNode(new Operation::Multiply(),
                               ExpressionTreeNode(new Operation::Cosh(),

libraries/lepton/src/Parser.cpp

@@ -6,7 +6,7 @@
  * Biological Structures at Stanford, funded under the NIH Roadmap for        *
  * Medical Research, grant U54 GM072970. See https://simtk.org.               *
  *                                                                            *
- * Portions copyright (c) 2009-2015 Stanford University and the Authors.      *
+ * Portions copyright (c) 2009-2019 Stanford University and the Authors.      *
  * Authors: Peter Eastman                                                     *
  * Contributors:                                                              *
  *                                                                            *
@@ -313,6 +313,7 @@ Operation* Parser::getFunctionOperation(const std::string& name, const map<strin
         opMap["asin"] = Operation::ASIN;
         opMap["acos"] = Operation::ACOS;
         opMap["atan"] = Operation::ATAN;
+        opMap["atan2"] = Operation::ATAN2;
         opMap["sinh"] = Operation::SINH;
         opMap["cosh"] = Operation::COSH;
         opMap["tanh"] = Operation::TANH;
@@ -368,6 +369,8 @@ Operation* Parser::getFunctionOperation(const std::string& name, const map<strin
             return new Operation::Acos();
         case Operation::ATAN:
             return new Operation::Atan();
+        case Operation::ATAN2:
+            return new Operation::Atan2();
         case Operation::SINH:
             return new Operation::Sinh();
         case Operation::COSH:

openmmapi/include/openmm/CustomAngleForce.h

@@ -69,7 +69,7 @@ namespace OpenMM {
  * computed.  You can then query its value in a Context by calling getState() on it.
  *
  * Expressions may involve the operators + (add), - (subtract), * (multiply), / (divide), and ^ (power), and the following
- * functions: sqrt, exp, log, sin, cos, sec, csc, tan, cot, asin, acos, atan, sinh, cosh, tanh, erf, erfc, min, max, abs, floor, ceil, step, delta, select.  All trigonometric functions
+ * functions: sqrt, exp, log, sin, cos, sec, csc, tan, cot, asin, acos, atan, atan2, sinh, cosh, tanh, erf, erfc, min, max, abs, floor, ceil, step, delta, select.  All trigonometric functions
  * are defined in radians, and log is the natural logarithm.  step(x) = 0 if x is less than 0, 1 otherwise.  delta(x) = 1 if x is 0, 0 otherwise.
  * select(x,y,z) = z if x = 0, y otherwise.
  */

openmmapi/include/openmm/CustomBondForce.h

@@ -69,7 +69,7 @@ namespace OpenMM {
  * computed.  You can then query its value in a Context by calling getState() on it.
  *
  * Expressions may involve the operators + (add), - (subtract), * (multiply), / (divide), and ^ (power), and the following
- * functions: sqrt, exp, log, sin, cos, sec, csc, tan, cot, asin, acos, atan, sinh, cosh, tanh, erf, erfc, min, max, abs, floor, ceil, step, delta, select.  All trigonometric functions
+ * functions: sqrt, exp, log, sin, cos, sec, csc, tan, cot, asin, acos, atan, atan2, sinh, cosh, tanh, erf, erfc, min, max, abs, floor, ceil, step, delta, select.  All trigonometric functions
  * are defined in radians, and log is the natural logarithm.  step(x) = 0 if x is less than 0, 1 otherwise.  delta(x) = 1 if x is 0, 0 otherwise.
  * select(x,y,z) = z if x = 0, y otherwise.
  */

openmmapi/include/openmm/CustomCVForce.h

@@ -63,7 +63,7 @@ namespace OpenMM {
  * computed.  You can then query its value in a Context by calling getState() on it.
  *
  * Expressions may involve the operators + (add), - (subtract), * (multiply), / (divide), and ^ (power), and the following
- * functions: sqrt, exp, log, sin, cos, sec, csc, tan, cot, asin, acos, atan, sinh, cosh, tanh, erf, erfc, min, max, abs, floor, ceil, step, delta, select.  All trigonometric functions
+ * functions: sqrt, exp, log, sin, cos, sec, csc, tan, cot, asin, acos, atan, atan2, sinh, cosh, tanh, erf, erfc, min, max, abs, floor, ceil, step, delta, select.  All trigonometric functions
  * are defined in radians, and log is the natural logarithm.  step(x) = 0 if x is less than 0, 1 otherwise.  delta(x) = 1 if x is 0, 0 otherwise.
  * select(x,y,z) = z if x = 0, y otherwise.
  *

openmmapi/include/openmm/CustomCentroidBondForce.h

@@ -104,7 +104,7 @@ namespace OpenMM {
  * computed.  You can then query its value in a Context by calling getState() on it.
  *
  * Expressions may involve the operators + (add), - (subtract), * (multiply), / (divide), and ^ (power), and the following
- * functions: sqrt, exp, log, sin, cos, sec, csc, tan, cot, asin, acos, atan, sinh, cosh, tanh, erf, erfc, min, max, abs, floor, ceil, step, delta, select.  All trigonometric functions
+ * functions: sqrt, exp, log, sin, cos, sec, csc, tan, cot, asin, acos, atan, atan2, sinh, cosh, tanh, erf, erfc, min, max, abs, floor, ceil, step, delta, select.  All trigonometric functions
  * are defined in radians, and log is the natural logarithm.  step(x) = 0 if x is less than 0, 1 otherwise.  delta(x) = 1 if x is 0, 0 otherwise.
  * select(x,y,z) = z if x = 0, y otherwise.
  *

openmmapi/include/openmm/CustomCompoundBondForce.h

@@ -93,7 +93,7 @@ namespace OpenMM {
  * computed.  You can then query its value in a Context by calling getState() on it.
  *
  * Expressions may involve the operators + (add), - (subtract), * (multiply), / (divide), and ^ (power), and the following
- * functions: sqrt, exp, log, sin, cos, sec, csc, tan, cot, asin, acos, atan, sinh, cosh, tanh, erf, erfc, min, max, abs, floor, ceil, step, delta, select.  All trigonometric functions
+ * functions: sqrt, exp, log, sin, cos, sec, csc, tan, cot, asin, acos, atan, atan2, sinh, cosh, tanh, erf, erfc, min, max, abs, floor, ceil, step, delta, select.  All trigonometric functions
  * are defined in radians, and log is the natural logarithm.  step(x) = 0 if x is less than 0, 1 otherwise.  delta(x) = 1 if x is 0, 0 otherwise.
  * select(x,y,z) = z if x = 0, y otherwise.
  *

openmmapi/include/openmm/CustomExternalForce.h

@@ -76,7 +76,7 @@ namespace OpenMM {
  * <tt>CustomExternalForce* force = new CustomExternalForce("k*periodicdistance(x, y, z, x0, y0, z0)^2");</tt>
  *
  * Expressions may involve the operators + (add), - (subtract), * (multiply), / (divide), and ^ (power), and the following
- * functions: sqrt, exp, log, sin, cos, sec, csc, tan, cot, asin, acos, atan, sinh, cosh, tanh, erf, erfc, min, max, abs, floor, ceil, step, delta, select.  All trigonometric functions
+ * functions: sqrt, exp, log, sin, cos, sec, csc, tan, cot, asin, acos, atan, atan2, sinh, cosh, tanh, erf, erfc, min, max, abs, floor, ceil, step, delta, select.  All trigonometric functions
  * are defined in radians, and log is the natural logarithm.  step(x) = 0 if x is less than 0, 1 otherwise.  delta(x) = 1 if x is 0, 0 otherwise.
  * select(x,y,z) = z if x = 0, y otherwise.
  */

openmmapi/include/openmm/CustomGBForce.h

@@ -133,7 +133,7 @@ namespace OpenMM {
  * computed.  You can then query its value in a Context by calling getState() on it.
  *
  * Expressions may involve the operators + (add), - (subtract), * (multiply), / (divide), and ^ (power), and the following
- * functions: sqrt, exp, log, sin, cos, sec, csc, tan, cot, asin, acos, atan, sinh, cosh, tanh, erf, erfc, min, max, abs, floor, ceil, step, delta, select.  All trigonometric functions
+ * functions: sqrt, exp, log, sin, cos, sec, csc, tan, cot, asin, acos, atan, atan2, sinh, cosh, tanh, erf, erfc, min, max, abs, floor, ceil, step, delta, select.  All trigonometric functions
  * are defined in radians, and log is the natural logarithm.  step(x) = 0 if x is less than 0, 1 otherwise.  delta(x) = 1 if x is 0, 0 otherwise.
  * select(x,y,z) = z if x = 0, y otherwise.  In expressions for particle pair calculations, the names of per-particle parameters and computed values
  * have the suffix "1" or "2" appended to them to indicate the values for the two interacting particles.  As seen in the above example,

openmmapi/include/openmm/CustomHbondForce.h

@@ -89,7 +89,7 @@ namespace OpenMM {
  * </pre></tt>
  *
  * Expressions may involve the operators + (add), - (subtract), * (multiply), / (divide), and ^ (power), and the following
- * functions: sqrt, exp, log, sin, cos, sec, csc, tan, cot, asin, acos, atan, sinh, cosh, tanh, erf, erfc, min, max, abs, floor, ceil, step, delta, select.  All trigonometric functions
+ * functions: sqrt, exp, log, sin, cos, sec, csc, tan, cot, asin, acos, atan, atan2, sinh, cosh, tanh, erf, erfc, min, max, abs, floor, ceil, step, delta, select.  All trigonometric functions
  * are defined in radians, and log is the natural logarithm.  step(x) = 0 if x is less than 0, 1 otherwise.  delta(x) = 1 if x is 0, 0 otherwise.
  * select(x,y,z) = z if x = 0, y otherwise.
  *

openmmapi/include/openmm/CustomIntegrator.h

@@ -254,7 +254,7 @@ namespace OpenMM {
  * the force from a single force group, or a random number.
  *
  * Expressions may involve the operators + (add), - (subtract), * (multiply), / (divide), and ^ (power), and the following
- * functions: sqrt, exp, log, sin, cos, sec, csc, tan, cot, asin, acos, atan, sinh, cosh, tanh, erf, erfc, min, max, abs, floor, ceil, step, delta, select.  All trigonometric functions
+ * functions: sqrt, exp, log, sin, cos, sec, csc, tan, cot, asin, acos, atan, atan2, sinh, cosh, tanh, erf, erfc, min, max, abs, floor, ceil, step, delta, select.  All trigonometric functions
  * are defined in radians, and log is the natural logarithm.  step(x) = 0 if x is less than 0, 1 otherwise.  delta(x) = 1 if x is 0, 0 otherwise.
  * select(x,y,z) = z if x = 0, y otherwise.  An expression may also involve intermediate quantities that are defined following the main expression, using ";" as a separator.
  * 

openmmapi/include/openmm/CustomManyParticleForce.h

@@ -149,7 +149,7 @@ namespace OpenMM {
  * still only be evaluated once for each triplet, so it must still be symmetric with respect to p2 and p3.
  *
  * Expressions may involve the operators + (add), - (subtract), * (multiply), / (divide), and ^ (power), and the following
- * functions: sqrt, exp, log, sin, cos, sec, csc, tan, cot, asin, acos, atan, sinh, cosh, tanh, erf, erfc, min, max, abs, floor, ceil, step, delta, select.  All trigonometric functions
+ * functions: sqrt, exp, log, sin, cos, sec, csc, tan, cot, asin, acos, atan, atan2, sinh, cosh, tanh, erf, erfc, min, max, abs, floor, ceil, step, delta, select.  All trigonometric functions
  * are defined in radians, and log is the natural logarithm.  step(x) = 0 if x is less than 0, 1 otherwise.  delta(x) = 1 if x is 0, 0 otherwise.
  * select(x,y,z) = z if x = 0, y otherwise.  The names of per-particle parameters have the suffix "1", "2", etc. appended to them to indicate the values for
  * the multiple interacting particles. For example, if you define a per-particle parameter called "charge", then the variable "charge2" is the charge of particle p2.

openmmapi/include/openmm/CustomNonbondedForce.h

@@ -124,7 +124,7 @@ namespace OpenMM {
  * computed.  You can then query its value in a Context by calling getState() on it.
  *
  * Expressions may involve the operators + (add), - (subtract), * (multiply), / (divide), and ^ (power), and the following
- * functions: sqrt, exp, log, sin, cos, sec, csc, tan, cot, asin, acos, atan, sinh, cosh, tanh, erf, erfc, min, max, abs, floor, ceil, step, delta, select.  All trigonometric functions
+ * functions: sqrt, exp, log, sin, cos, sec, csc, tan, cot, asin, acos, atan, atan2, sinh, cosh, tanh, erf, erfc, min, max, abs, floor, ceil, step, delta, select.  All trigonometric functions
  * are defined in radians, and log is the natural logarithm.  step(x) = 0 if x is less than 0, 1 otherwise.  delta(x) = 1 if x is 0, 0 otherwise.
  * select(x,y,z) = z if x = 0, y otherwise.  The names of per-particle parameters have the suffix "1" or "2" appended to them to indicate the values for the
  * two interacting particles.  As seen in the above example, the expression may also involve intermediate quantities that are defined following the main expression,

openmmapi/include/openmm/CustomTorsionForce.h

@@ -74,7 +74,7 @@ namespace OpenMM {
  * computed.  You can then query its value in a Context by calling getState() on it.
  *
  * Expressions may involve the operators + (add), - (subtract), * (multiply), / (divide), and ^ (power), and the following
- * functions: sqrt, exp, log, sin, cos, sec, csc, tan, cot, asin, acos, atan, sinh, cosh, tanh, erf, erfc, min, max, abs, floor, ceil, step, delta, select.  All trigonometric functions
+ * functions: sqrt, exp, log, sin, cos, sec, csc, tan, cot, asin, acos, atan, atan2, sinh, cosh, tanh, erf, erfc, min, max, abs, floor, ceil, step, delta, select.  All trigonometric functions
  * are defined in radians, and log is the natural logarithm.  step(x) = 0 if x is less than 0, 1 otherwise.  delta(x) = 1 if x is 0, 0 otherwise.
  * select(x,y,z) = z if x = 0, y otherwise.
  */

platforms/cuda/include/CudaExpressionUtilities.h

@@ -9,7 +9,7 @@
  * Biological Structures at Stanford, funded under the NIH Roadmap for        *
  * Medical Research, grant U54 GM072970. See https://simtk.org.               *
  *                                                                            *
- * Portions copyright (c) 2009-2015 Stanford University and the Authors.      *
+ * Portions copyright (c) 2009-2019 Stanford University and the Authors.      *
  * Authors: Peter Eastman                                                     *
  * Contributors:                                                              *
  *                                                                            *
@@ -123,7 +123,7 @@ private:
     void findRelatedPowers(const Lepton::ExpressionTreeNode& node, const Lepton::ExpressionTreeNode& searchNode,
             std::map<int, const Lepton::ExpressionTreeNode*>& powers);
     void callFunction(std::stringstream& out, std::string singleFn, std::string doubleFn, const std::string& arg, const std::string& tempType);
-    void callFunction2(std::stringstream& out, std::string fn, const std::string& arg1, const std::string& arg2, const std::string& tempType);
+    void callFunction2(std::stringstream& out, std::string singleFn, std::string doubleFn, const std::string& arg1, const std::string& arg2, const std::string& tempType);
     std::vector<std::vector<double> > computeFunctionParameters(const std::vector<const TabulatedFunction*>& functions);
     CudaContext& context;
     FunctionPlaceholder fp1, fp2, fp3, periodicDistance;

platforms/cuda/src/CudaExpressionUtilities.cpp

@@ -6,7 +6,7 @@
  * Biological Structures at Stanford, funded under the NIH Roadmap for        *
  * Medical Research, grant U54 GM072970. See https://simtk.org.               *
  *                                                                            *
- * Portions copyright (c) 2009-2018 Stanford University and the Authors.      *
+ * Portions copyright (c) 2009-2019 Stanford University and the Authors.      *
  * Authors: Peter Eastman                                                     *
  * Contributors:                                                              *
  *                                                                            *
@@ -484,6 +484,9 @@ void CudaExpressionUtilities::processExpression(stringstream& out, const Express
         case Operation::ATAN:
             callFunction(out, "atanf", "atan", getTempName(node.getChildren()[0], temps), tempType);
             break;
+        case Operation::ATAN2:
+            callFunction2(out, "atan2f", "atan2", getTempName(node.getChildren()[0], temps), getTempName(node.getChildren()[1], temps), tempType);
+            break;
         case Operation::SINH:
             callFunction(out, "sinh", "sinh", getTempName(node.getChildren()[0], temps), tempType);
             break;
@@ -619,10 +622,10 @@ void CudaExpressionUtilities::processExpression(stringstream& out, const Express
             break;
         }
         case Operation::MIN:
-            callFunction2(out, "min", getTempName(node.getChildren()[0], temps), getTempName(node.getChildren()[1], temps), tempType);
+            callFunction2(out, "min", "min", getTempName(node.getChildren()[0], temps), getTempName(node.getChildren()[1], temps), tempType);
             break;
         case Operation::MAX:
-            callFunction2(out, "max", getTempName(node.getChildren()[0], temps), getTempName(node.getChildren()[1], temps), tempType);
+            callFunction2(out, "max", "max", getTempName(node.getChildren()[0], temps), getTempName(node.getChildren()[1], temps), tempType);
             break;
         case Operation::ABS:
             callFunction(out, "fabs", "fabs", getTempName(node.getChildren()[0], temps), tempType);
@@ -923,22 +926,17 @@ Lepton::CustomFunction* CudaExpressionUtilities::getPeriodicDistancePlaceholder(
 void CudaExpressionUtilities::callFunction(stringstream& out, string singleFn, string doubleFn, const string& arg, const string& tempType) {
     bool isDouble = (tempType[0] == 'd');
     bool isVector = (tempType[tempType.size()-1] == '3');
-    if (isVector) {
-        if (isDouble)
-            out<<"make_double3("<<doubleFn<<"("<<arg<<".x), "<<doubleFn<<"("<<arg<<".y), "<<doubleFn<<"("<<arg<<".z))";
+    string fn = (isDouble ? doubleFn : singleFn);
+    if (isVector)
+        out<<"make_"<<tempType<<"("<<fn<<"("<<arg<<".x), "<<fn<<"("<<arg<<".y), "<<fn<<"("<<arg<<".z))";
     else
-            out<<"make_float3("<<singleFn<<"("<<arg<<".x), "<<singleFn<<"("<<arg<<".y), "<<singleFn<<"("<<arg<<".z))";
-    }
-    else {
-        if (isDouble)
-            out<<doubleFn<<"("<<arg<<")";
-        else
-            out<<singleFn<<"("<<arg<<")";
-    }
+        out<<fn<<"("<<arg<<")";
 }
 
-void CudaExpressionUtilities::callFunction2(stringstream& out, string fn, const string& arg1, const string& arg2, const string& tempType) {
+void CudaExpressionUtilities::callFunction2(stringstream& out, string singleFn, string doubleFn, const string& arg1, const string& arg2, const string& tempType) {
+    bool isDouble = (tempType[0] == 'd');
     bool isVector = (tempType[tempType.size()-1] == '3');
+    string fn = (isDouble ? doubleFn : singleFn);
     if (isVector) {
         out<<"make_"<<tempType<<"(";
         out<<fn<<"("<<arg1<<".x, "<<arg2<<".x), ";