fix(openmmapi): move getNum...() definitions to implementation files (#5009)

Fixes #5001.
Signed-off-by: Yannick Lemke <yannick.lemke@posteo.de>

openmmapi/include/openmm/ATMForce.h

@@ -177,28 +177,20 @@ public:
      *
      * This should be the same number of particles as the System
      */
-    int getNumParticles() const {
-        return particles.size();
-    }
+    int getNumParticles() const;
     /**
      * Get the number of Forces included in the ATMForce.
      */
-    int getNumForces() const {
-        return forces.size();
-    }
+    int getNumForces() const;
     /**
      * Get the number of global parameters that the interaction depends on.
      */
-    int getNumGlobalParameters() const {
-        return globalParameters.size();
-    }
+    int getNumGlobalParameters() const;
     /**
      * Get the number of global parameters with respect to which the derivative of the energy
      * should be computed.
      */
-    int getNumEnergyParameterDerivatives() const {
-        return energyParameterDerivatives.size();
-    }
+    int getNumEnergyParameterDerivatives() const;
     /**
      * Get the algebraic expression that gives the energy of the system
      */

openmmapi/include/openmm/CMAPTorsionForce.h

@@ -61,15 +61,11 @@ public:
     /**
      * Get the number of maps that have been defined.
      */
-    int getNumMaps() const {
-        return maps.size();
-    }
+    int getNumMaps() const;
     /**
      * Get the number of CMAP torsion terms in the potential function
      */
-    int getNumTorsions() const {
-        return torsions.size();
-    }
+    int getNumTorsions() const;
     /**
      * Create a new map that can be used for torsion pairs.
      *

openmmapi/include/openmm/CustomAngleForce.h

@@ -94,28 +94,20 @@ public:
     /**
      * Get the number of angles for which force field parameters have been defined.
      */
-    int getNumAngles() const {
-        return angles.size();
-    }
+    int getNumAngles() const;
     /**
      * Get the number of per-angle parameters that the interaction depends on.
      */
-    int getNumPerAngleParameters() const {
-        return parameters.size();
-    }
+    int getNumPerAngleParameters() const;
     /**
      * Get the number of global parameters that the interaction depends on.
      */
-    int getNumGlobalParameters() const {
-        return globalParameters.size();
-    }
+    int getNumGlobalParameters() const;
     /**
      * Get the number of global parameters with respect to which the derivative of the energy
      * should be computed.
      */
-    int getNumEnergyParameterDerivatives() const {
-        return energyParameterDerivatives.size();
-    }
+    int getNumEnergyParameterDerivatives() const;
     /**
      * Get the algebraic expression that gives the interaction energy for each angle
      */

openmmapi/include/openmm/CustomBondForce.h

@@ -94,28 +94,20 @@ public:
     /**
      * Get the number of bonds for which force field parameters have been defined.
      */
-    int getNumBonds() const {
-        return bonds.size();
-    }
+    int getNumBonds() const;
     /**
      * Get the number of per-bond parameters that the interaction depends on.
      */
-    int getNumPerBondParameters() const {
-        return parameters.size();
-    }
+    int getNumPerBondParameters() const;
     /**
      * Get the number of global parameters that the interaction depends on.
      */
-    int getNumGlobalParameters() const {
-        return globalParameters.size();
-    }
+    int getNumGlobalParameters() const;
     /**
      * Get the number of global parameters with respect to which the derivative of the energy
      * should be computed.
      */
-    int getNumEnergyParameterDerivatives() const {
-        return energyParameterDerivatives.size();
-    }
+    int getNumEnergyParameterDerivatives() const;
     /**
      * Get the algebraic expression that gives the interaction energy for each bond
      */

openmmapi/include/openmm/CustomCVForce.h

@@ -84,28 +84,20 @@ public:
     /**
      * Get the number of collective variables that the interaction depends on.
      */
-    int getNumCollectiveVariables() const {
-        return variables.size();
-    }
+    int getNumCollectiveVariables() const;
     /**
      * Get the number of global parameters that the interaction depends on.
      */
-    int getNumGlobalParameters() const {
-        return globalParameters.size();
-    }
+    int getNumGlobalParameters() const;
     /**
      * Get the number of global parameters with respect to which the derivative of the energy
      * should be computed.
      */
-    int getNumEnergyParameterDerivatives() const {
-        return energyParameterDerivatives.size();
-    }
+    int getNumEnergyParameterDerivatives() const;
     /**
      * Get the number of tabulated functions that have been defined.
      */
-    int getNumTabulatedFunctions() const {
-        return functions.size();
-    }
+    int getNumTabulatedFunctions() const;
     /**
      * Get the algebraic expression that gives the energy of the system
      */

openmmapi/include/openmm/CustomCentroidBondForce.h

@@ -144,54 +144,38 @@ public:
     /**
      * Get the number of groups used to define each bond.
      */
-    int getNumGroupsPerBond() const {
-        return groupsPerBond;
-    }
+    int getNumGroupsPerBond() const;
     /**
      * Get the number of particle groups that have been defined.
      */
-    int getNumGroups() const {
-        return groups.size();
-    }
+    int getNumGroups() const;
     /**
      * Get the number of bonds for which force field parameters have been defined.
      */
-    int getNumBonds() const {
-        return bonds.size();
-    }
+    int getNumBonds() const;
     /**
      * Get the number of per-bond parameters that the interaction depends on.
      */
-    int getNumPerBondParameters() const {
-        return bondParameters.size();
-    }
+    int getNumPerBondParameters() const;
     /**
      * Get the number of global parameters that the interaction depends on.
      */
-    int getNumGlobalParameters() const {
-        return globalParameters.size();
-    }
+    int getNumGlobalParameters() const;
     /**
      * Get the number of global parameters with respect to which the derivative of the energy
      * should be computed.
      */
-    int getNumEnergyParameterDerivatives() const {
-        return energyParameterDerivatives.size();
-    }
+    int getNumEnergyParameterDerivatives() const;
     /**
      * Get the number of tabulated functions that have been defined.
      */
-    int getNumTabulatedFunctions() const {
-        return functions.size();
-    }
+    int getNumTabulatedFunctions() const;
     /**
      * Get the number of tabulated functions that have been defined.
      *
      * @deprecated This method exists only for backward compatibility.  Use getNumTabulatedFunctions() instead.
      */
-    int getNumFunctions() const {
-        return functions.size();
-    }
+    int getNumFunctions() const;
     /**
      * Get the algebraic expression that gives the interaction energy of each bond
      */

openmmapi/include/openmm/CustomCompoundBondForce.h

@@ -138,48 +138,34 @@ public:
     /**
      * Get the number of particles used to define each bond.
      */
-    int getNumParticlesPerBond() const {
-        return particlesPerBond;
-    }
+    int getNumParticlesPerBond() const;
     /**
      * Get the number of bonds for which force field parameters have been defined.
      */
-    int getNumBonds() const {
-        return bonds.size();
-    }
+    int getNumBonds() const;
     /**
      * Get the number of per-bond parameters that the interaction depends on.
      */
-    int getNumPerBondParameters() const {
-        return bondParameters.size();
-    }
+    int getNumPerBondParameters() const;
     /**
      * Get the number of global parameters that the interaction depends on.
      */
-    int getNumGlobalParameters() const {
-        return globalParameters.size();
-    }
+    int getNumGlobalParameters() const;
     /**
      * Get the number of global parameters with respect to which the derivative of the energy
      * should be computed.
      */
-    int getNumEnergyParameterDerivatives() const {
-        return energyParameterDerivatives.size();
-    }
+    int getNumEnergyParameterDerivatives() const;
     /**
      * Get the number of tabulated functions that have been defined.
      */
-    int getNumTabulatedFunctions() const {
-        return functions.size();
-    }
+    int getNumTabulatedFunctions() const;
     /**
      * Get the number of tabulated functions that have been defined.
      *
      * @deprecated This method exists only for backward compatibility.  Use getNumTabulatedFunctions() instead.
      */
-    int getNumFunctions() const {
-        return functions.size();
-    }
+    int getNumFunctions() const;
     /**
      * Get the algebraic expression that gives the interaction energy of each bond
      */

openmmapi/include/openmm/CustomExternalForce.h

@@ -106,21 +106,15 @@ public:
     /**
      * Get the number of particles for which force field parameters have been defined.
      */
-    int getNumParticles() const {
-        return particles.size();
-    }
+    int getNumParticles() const;
     /**
      * Get the number of per-particle parameters that the force depends on
      */
-    int getNumPerParticleParameters() const {
-        return parameters.size();
-    }
+    int getNumPerParticleParameters() const;
     /**
      * Get the number of global parameters that the force depends on.
      */
-    int getNumGlobalParameters() const {
-        return globalParameters.size();
-    }
+    int getNumGlobalParameters() const;
     /**
      * Get the algebraic expression that gives the potential energy of each particle
      */

openmmapi/include/openmm/CustomGBForce.h

@@ -193,60 +193,42 @@ public:
     /**
      * Get the number of particles for which force field parameters have been defined.
      */
-    int getNumParticles() const {
-        return particles.size();
-    }
+    int getNumParticles() const;
     /**
      * Get the number of particle pairs whose interactions should be excluded.
      */
-    int getNumExclusions() const {
-        return exclusions.size();
-    }
+    int getNumExclusions() const;
     /**
      * Get the number of per-particle parameters that the interaction depends on.
      */
-    int getNumPerParticleParameters() const {
-        return parameters.size();
-    }
+    int getNumPerParticleParameters() const;
     /**
      * Get the number of global parameters that the interaction depends on.
      */
-    int getNumGlobalParameters() const {
-        return globalParameters.size();
-    }
+    int getNumGlobalParameters() const;
     /**
      * Get the number of global parameters with respect to which the derivative of the energy
      * should be computed.
      */
-    int getNumEnergyParameterDerivatives() const {
-        return energyParameterDerivatives.size();
-    }
+    int getNumEnergyParameterDerivatives() const;
     /**
      * Get the number of tabulated functions that have been defined.
      */
-    int getNumTabulatedFunctions() const {
-        return functions.size();
-    }
+    int getNumTabulatedFunctions() const;
     /**
      * Get the number of tabulated functions that have been defined.
      *
      * @deprecated This method exists only for backward compatibility.  Use getNumTabulatedFunctions() instead.
      */
-    int getNumFunctions() const {
-        return functions.size();
-    }
+    int getNumFunctions() const;
     /**
      * Get the number of per-particle computed values the interaction depends on.
      */
-    int getNumComputedValues() const {
-        return computedValues.size();
-    }
+    int getNumComputedValues() const;
     /**
      * Get the number of terms in the energy computation.
      */
-    int getNumEnergyTerms() const {
-        return energyTerms.size();
-    }
+    int getNumEnergyTerms() const;
     /**
      * Get the method used for handling long range nonbonded interactions.
      */

openmmapi/include/openmm/CustomHbondForce.h

@@ -138,53 +138,37 @@ public:
     /**
      * Get the number of donors for which force field parameters have been defined.
      */
-    int getNumDonors() const {
-        return donors.size();
-    }
+    int getNumDonors() const;
     /**
      * Get the number of acceptors for which force field parameters have been defined.
      */
-    int getNumAcceptors() const {
-        return acceptors.size();
-    }
+    int getNumAcceptors() const;
     /**
      * Get the number of donor-acceptor pairs whose interactions should be excluded.
      */
-    int getNumExclusions() const {
-        return exclusions.size();
-    }
+    int getNumExclusions() const;
     /**
      * Get the number of per-donor parameters that the interaction depends on.
      */
-    int getNumPerDonorParameters() const {
-        return donorParameters.size();
-    }
+    int getNumPerDonorParameters() const;
     /**
      * Get the number of per-acceptor parameters that the interaction depends on.
      */
-    int getNumPerAcceptorParameters() const {
-        return acceptorParameters.size();
-    }
+    int getNumPerAcceptorParameters() const;
     /**
      * Get the number of global parameters that the interaction depends on.
      */
-    int getNumGlobalParameters() const {
-        return globalParameters.size();
-    }
+    int getNumGlobalParameters() const;
     /**
      * Get the number of tabulated functions that have been defined.
      */
-    int getNumTabulatedFunctions() const {
-        return functions.size();
-    }
+    int getNumTabulatedFunctions() const;
     /**
      * Get the number of tabulated functions that have been defined.
      *
      * @deprecated This method exists only for backward compatibility.  Use getNumTabulatedFunctions() instead.
      */
-    int getNumFunctions() const {
-        return functions.size();
-    }
+    int getNumFunctions() const;
     /**
      * Get the algebraic expression that gives the interaction energy between a donor and an acceptor
      */

openmmapi/include/openmm/CustomIntegrator.h

@@ -389,27 +389,19 @@ public:
     /**
      * Get the number of global variables that have been defined.
      */
-    int getNumGlobalVariables() const {
-        return globalNames.size();
-    }
+    int getNumGlobalVariables() const;
     /**
      * Get the number of per-DOF variables that have been defined.
      */
-    int getNumPerDofVariables() const {
-        return perDofNames.size();
-    }
+    int getNumPerDofVariables() const;
     /**
      * Get the number of computation steps that have been added.
      */
-    int getNumComputations() const {
-        return computations.size();
-    }
+    int getNumComputations() const;
     /**
      * Get the number of tabulated functions that have been defined.
      */
-    int getNumTabulatedFunctions() const {
-        return functions.size();
-    }
+    int getNumTabulatedFunctions() const;
     /**
      * Define a new global variable.
      *

openmmapi/include/openmm/CustomManyParticleForce.h

@@ -240,39 +240,27 @@ public:
     /**
      * Get the number of particles in each set for which the energy is evaluated
      */
-    int getNumParticlesPerSet() const {
-        return particlesPerSet;
-    }
+    int getNumParticlesPerSet() const;
     /**
      * Get the number of particles for which force field parameters have been defined.
      */
-    int getNumParticles() const {
-        return particles.size();
-    }
+    int getNumParticles() const;
     /**
      * Get the number of particle pairs whose interactions should be excluded.
      */
-    int getNumExclusions() const {
-        return exclusions.size();
-    }
+    int getNumExclusions() const;
     /**
      * Get the number of per-particle parameters that the interaction depends on.
      */
-    int getNumPerParticleParameters() const {
-        return particleParameters.size();
-    }
+    int getNumPerParticleParameters() const;
     /**
      * Get the number of global parameters that the interaction depends on.
      */
-    int getNumGlobalParameters() const {
-        return globalParameters.size();
-    }
+    int getNumGlobalParameters() const;
     /**
      * Get the number of tabulated functions that have been defined.
      */
-    int getNumTabulatedFunctions() const {
-        return functions.size();
-    }
+    int getNumTabulatedFunctions() const;
     /**
      * Get the algebraic expression that gives the interaction energy of each bond
      */

openmmapi/include/openmm/CustomNonbondedForce.h

@@ -195,60 +195,42 @@ public:
     /**
      * Get the number of particles for which force field parameters have been defined.
      */
-    int getNumParticles() const {
-        return particles.size();
-    }
+    int getNumParticles() const;
     /**
      * Get the number of particle pairs whose interactions should be excluded.
      */
-    int getNumExclusions() const {
-        return exclusions.size();
-    }
+    int getNumExclusions() const;
     /**
      * Get the number of per-particle parameters that the interaction depends on.
      */
-    int getNumPerParticleParameters() const {
-        return parameters.size();
-    }
+    int getNumPerParticleParameters() const;
     /**
      * Get the number of global parameters that the interaction depends on.
      */
-    int getNumGlobalParameters() const {
-        return globalParameters.size();
-    }
+    int getNumGlobalParameters() const;
     /**
      * Get the number of tabulated functions that have been defined.
      */
-    int getNumTabulatedFunctions() const {
-        return functions.size();
-    }
+    int getNumTabulatedFunctions() const;
     /**
      * Get the number of tabulated functions that have been defined.
      *
      * @deprecated This method exists only for backward compatibility.  Use getNumTabulatedFunctions() instead.
      */
-    int getNumFunctions() const {
-        return functions.size();
-    }
+    int getNumFunctions() const;
     /**
      * Get the number of per-particle computed values the interaction depends on.
      */
-    int getNumComputedValues() const {
-        return computedValues.size();
-    }
+    int getNumComputedValues() const;
     /**
      * Get the number of interaction groups that have been defined.
      */
-    int getNumInteractionGroups() const {
-        return interactionGroups.size();
-    }
+    int getNumInteractionGroups() const;
     /**
      * Get the number of global parameters with respect to which the derivative of the energy
      * should be computed.
      */
-    int getNumEnergyParameterDerivatives() const {
-        return energyParameterDerivatives.size();
-    }
+    int getNumEnergyParameterDerivatives() const;
     /**
      * Get the algebraic expression that gives the interaction energy between two particles
      */

openmmapi/include/openmm/CustomTorsionForce.h

@@ -104,28 +104,20 @@ public:
     /**
      * Get the number of torsions for which force field parameters have been defined.
      */
-    int getNumTorsions() const {
-        return torsions.size();
-    }
+    int getNumTorsions() const;
     /**
      * Get the number of per-torsion parameters that the interaction depends on.
      */
-    int getNumPerTorsionParameters() const {
-        return parameters.size();
-    }
+    int getNumPerTorsionParameters() const;
     /**
      * Get the number of global parameters that the interaction depends on.
      */
-    int getNumGlobalParameters() const {
-        return globalParameters.size();
-    }
+    int getNumGlobalParameters() const;
     /**
      * Get the number of global parameters with respect to which the derivative of the energy
      * should be computed.
      */
-    int getNumEnergyParameterDerivatives() const {
-        return energyParameterDerivatives.size();
-    }
+    int getNumEnergyParameterDerivatives() const;
     /**
      * Get the algebraic expression that gives the interaction energy for each torsion
      */

openmmapi/include/openmm/CustomVolumeForce.h

@@ -77,9 +77,7 @@ public:
     /**
      * Get the number of global parameters that the energy depends on.
      */
-    int getNumGlobalParameters() const {
-        return globalParameters.size();
-    }
+    int getNumGlobalParameters() const;
     /**
      * Get the algebraic expression that defines the energy.
      */

openmmapi/include/openmm/DPDIntegrator.h

@@ -133,9 +133,7 @@ public:
     /**
      * Get the number of type pairs that have been added to the integrator.
      */
-    int getNumTypePairs() const {
-        return pairs.size();
-    }
+    int getNumTypePairs() const;
     /**
      * Add a type pair.  This overrides the default friction and cutoff distance for interactions
      * between particles of two particular types.

openmmapi/include/openmm/GBSAOBCForce.h

@@ -83,9 +83,7 @@ public:
     /**
      * Get the number of particles in the system.
      */
-    int getNumParticles() const {
-        return particles.size();
-    }
+    int getNumParticles() const;
     /**
      * Add the GBSA parameters for a particle.  This should be called once for each particle
      * in the System.  When it is called for the i'th time, it specifies the parameters for the i'th particle.

openmmapi/include/openmm/GayBerneForce.h

@@ -106,15 +106,11 @@ public:
     /**
      * Get the number of particles for which force field parameters have been defined.
      */
-    int getNumParticles() const {
-        return particles.size();
-    }
+    int getNumParticles() const;
     /**
      * Get the number of special interactions that should be calculated differently from other interactions.
      */
-    int getNumExceptions() const {
-        return exceptions.size();
-    }
+    int getNumExceptions() const;
     /**
      * Get the method used for handling long range interactions.
      */

openmmapi/include/openmm/HarmonicAngleForce.h

@@ -56,9 +56,7 @@ public:
     /**
      * Get the number of harmonic bond angle terms in the potential function
      */
-    int getNumAngles() const {
-        return angles.size();
-    }
+    int getNumAngles() const;
     /**
      * Add an angle term to the force field.
      *

openmmapi/include/openmm/HarmonicBondForce.h

@@ -56,9 +56,7 @@ public:
     /**
      * Get the number of harmonic bond stretch terms in the potential function
      */
-    int getNumBonds() const {
-        return bonds.size();
-    }
+    int getNumBonds() const;
     /**
      * Add a bond term to the force field.
      *