void Dssp::initOptions(IOptionsContainer* options, TrajectoryAnalysisSettings* settings)
{
- std::cout << "options started" << std::endl;
static const char* const desc[] = {
"[THISMODULE] todo",
};
options->addOption(
BooleanOption("v").store(&initParams.verbose).defaultValue(false).description(">:("));
settings->setHelpText(desc);
-
- std::cout << "options ended" << std::endl;
}
void Dssp::optionsFinished(TrajectoryAnalysisSettings* /* settings */) {
-
- std::cout << "optinsFinished ended" << std::endl;
}
void DsspTool::initAnalysis(/*const TrajectoryAnalysisSettings &settings,*/const TopologyInformation& top, const initParameters &initParamz)
{
- std::cout << "Init started" << std::endl;
+ std::cout << "Init started" << std::endl;
initParams = initParamz;
+ std::cout << "1" << std::endl;
ResInfo _backboneAtoms;
std::size_t i{ 0 };
int resicompare{ top.atoms()->atom[static_cast<std::size_t>(*(initParams.sel_.atomIndices().begin()))].resind };