seams_input.hpp File Reference

File for functions that read in files). More...

#include <functional>
#include <iostream>
#include <memory>
#include <mol_sys.hpp>
#include <ring.hpp>
#include <string>
#include <filesystem>

Go to the source code of this file.

Namespaces
namespace	sinp
	Functions for the d-SEAMS readers.

Functions
std::vector< std::string >	sinp::getInpFileList (std::string inputFolder)
	Get file list inside the input folder.
int	sinp::nLammpsFrames (const std::string &filename)
void	sinp::dropLammpsDumpIndex (const std::string &filename)
	Drop a cached dump session (tests that rewrite a path in place).
void	sinp::forEachLammpsFrame (const std::string &filename, int first, int last, int typeFilter, const std::function< void(int, molSys::PointCloud< molSys::Point< double >, double > &)> &fn, int nThreads=0)
molSys::PointCloud< molSys::Point< double >, double >	sinp::readLammpsTrj (std::string filename, int targetFrame, molSys::PointCloud< molSys::Point< double >, double > &yCloud, bool isSlice=false, std::array< double, 3 > coordLow=std::array< double, 3 >{0, 0, 0}, std::array< double, 3 > coordHigh=std::array< double, 3 >{0, 0, 0})
molSys::PointCloud< molSys::Point< double >, double >	sinp::readLammpsTrjO (std::string filename, int targetFrame, molSys::PointCloud< molSys::Point< double >, double > &yCloud, int typeO, bool isSlice=false, std::array< double, 3 > coordLow=std::array< double, 3 >{0, 0, 0}, std::array< double, 3 > coordHigh=std::array< double, 3 >{0, 0, 0})
molSys::PointCloud< molSys::Point< double >, double >	sinp::readLammpsTrjreduced (std::string filename, int targetFrame, molSys::PointCloud< molSys::Point< double >, double > &yCloud, int typeI, bool isSlice=false, std::array< double, 3 > coordLow=std::array< double, 3 >{0, 0, 0}, std::array< double, 3 > coordHigh=std::array< double, 3 >{0, 0, 0})
molSys::PointCloud< molSys::Point< double >, double >	sinp::readXYZ (std::string filename)
	Function for reading in atom coordinates from an XYZ file.
std::vector< std::vector< int > >	sinp::readBonds (std::string filename)
	Reads bonds into a vector of vectors from a file with a specific format.
bool	sinp::atomInSlice (double x, double y, double z, std::array< double, 3 > coordLow, std::array< double, 3 > coordHigh)

Detailed Description

File for functions that read in files).

Definition in file seams_input.hpp.