--- trunk/src/brains/SimInfo.cpp 2005/09/07 19:18:54 585 +++ trunk/src/brains/SimInfo.cpp 2005/09/07 20:46:46 586 @@ -52,6 +52,7 @@ #include "brains/SimInfo.hpp" #include "math/Vector3.hpp" #include "primitives/Molecule.hpp" +#include "UseTheForce/fCutoffPolicy.h" #include "UseTheForce/doForces_interface.h" #include "UseTheForce/notifyCutoffs_interface.h" #include "utils/MemoryUtils.hpp" @@ -841,12 +842,34 @@ namespace oopse { } } - void SimInfo::setupCutoff() { + void SimInfo::setupCutoff() { getCutoff(rcut_, rsw_); double rnblist = rcut_ + 1; // skin of neighbor list //Pass these cutoff radius etc. to fortran. This function should be called once and only once - notifyFortranCutoffs(&rcut_, &rsw_, &rnblist); + + int cp = TRADITIONAL_CUTOFF_POLICY; + if (simParams_->haveCutoffPolicy()) { + std::string myPolicy = simParams_->getCutoffPolicy(); + if (myPolicy == "MIX") { + cp = MIX_CUTOFF_POLICY; + } else { + if (myPolicy == "MAX") { + cp = MAX_CUTOFF_POLICY; + } else { + if (myPolicy == "TRADITIONAL") { + cp = TRADITIONAL_CUTOFF_POLICY; + } else { + // throw error + sprintf( painCave.errMsg, + "SimInfo error: Unknown cutoffPolicy. (Input file specified %s .)\n\tcutoffPolicy must be one of: \"Mix\", \"Max\", or \"Traditional\".", myPolicy.c_str() ); + painCave.isFatal = 1; + simError(); + } + } + } + } + notifyFortranCutoffs(&rcut_, &rsw_, &rnblist, &cp); } void SimInfo::addProperty(GenericData* genData) {