--- trunk/src/applications/sequentialProps/SequentialProps.cpp 2014/10/30 18:51:38 2029 +++ trunk/src/applications/sequentialProps/SequentialProps.cpp 2014/11/06 14:31:32 2039 @@ -53,6 +53,7 @@ #include "applications/sequentialProps/SequentialAnalyzer.hpp" #include "applications/sequentialProps/CenterOfMass.hpp" #include "applications/sequentialProps/ContactAngle1.hpp" +#include "applications/sequentialProps/ContactAngle2.hpp" using namespace OpenMD; @@ -131,6 +132,41 @@ int main(int argc, char* argv[]){ } analyzer = new ContactAngle1(info, dumpFileName, sele1, solidZ, dropletR); + } else if(args_info.ca2_given){ + RealType solidZ; + if (args_info.referenceZ_given) + solidZ = args_info.referenceZ_arg; + else { + sprintf( painCave.errMsg, + "--referenceZ must be set if --ca2 is used\n"); + painCave.severity = OPENMD_ERROR; + painCave.isFatal = 1; + simError(); + } + RealType threshDens; + if (args_info.threshDens_given) + threshDens = args_info.threshDens_arg; + else { + sprintf( painCave.errMsg, + "--threshDens must be set if --ca2 is used\n"); + painCave.severity = OPENMD_ERROR; + painCave.isFatal = 1; + simError(); + } + RealType bufferLength; + if (args_info.bufferLength_given) + bufferLength = args_info.bufferLength_arg; + else { + sprintf( painCave.errMsg, + "--bufferLength must be set if --ca2 is used\n"); + painCave.severity = OPENMD_ERROR; + painCave.isFatal = 1; + simError(); + } + + analyzer = new ContactAngle2(info, dumpFileName, sele1, solidZ, + threshDens, bufferLength, args_info.nbins_arg, + args_info.nbins_z_arg); } if (args_info.output_given) {