ConFileIO.h File Reference

#include <array>
#include <cstdint>
#include <memory>
#include <optional>
#include <readcon-core.hpp>
#include <string>
#include <utility>
#include <vector>

Go to the source code of this file.

Classes
struct	eonc::io::ConMetadataValue
struct	eonc::io::ConMetadataText
struct	eonc::io::ConFrameMetadata

Namespaces
namespace	eonc
	RAII resource manager for the ARTn C library with global synchronization.
namespace	eonc::io

Enumerations
enum class	eonc::io::IoStatus : std::uint8_t {   eonc::io::Ok = 0 , eonc::io::ReadError = 1 , eonc::io::WriteError = 2 , eonc::io::AppendError = 3 ,   eonc::io::OpenError = 4 , eonc::io::InvalidArgument = 5 }
	Structured I/O result for the client surface (nanobind-friendly). More...

Functions
constexpr bool	eonc::io::io_ok (IoStatus s) noexcept
constexpr const char *	eonc::io::io_status_name (IoStatus s) noexcept
	Human-readable label for logging / bindings.
ConFrameMetadata	eonc::io::metadata_from_frame (const readcon::ConFrame &frame)
	Extract known frame-level fields from a parsed readcon frame.
void	eonc::io::set_write_con_forces (bool enabled) noexcept
	Whether written .con frames carry "Forces of Component" sections.
bool	eonc::io::write_con_forces () noexcept
IoStatus	eonc::io::con2matter (Matter &m, std::string filename)
IoStatus	eonc::io::con2matter (Matter &m, const readcon::ConFrame &frame, ConFrameMetadata *out_metadata)
IoStatus	eonc::io::convel2matter (Matter &m, std::string filename)
IoStatus	eonc::io::matter2con (Matter &m, std::string filename, bool append=false, const ConFrameMetadata *metadata=nullptr)
	Append a frame to a .con, or truncate and write one frame.
void	eonc::io::resetConAppendState ()
	Drop the per-path bookkeeping that lets append-mode writes skip re-parsing frames this process wrote.
IoStatus	eonc::io::matter2convel (Matter &m, std::string filename)
IoStatus	eonc::io::matter2xyz (Matter &m, std::string filename, bool append=false)
	Write one extended-XYZ frame: Lattice= cell and 17-digit coordinates.
IoStatus	eonc::io::writeTibble (Matter &m, std::string filename)
	Debug table (positions, optional cached forces). Not a structure format.
readcon::ConFrame	eonc::io::matterToConFrame (Matter &m, const ConFrameMetadata *metadata=nullptr)
	Build a single stamped ConFrame from Matter (same builder as matter2con).
std::vector< readcon::ConFrame >	eonc::io::buildNebPathFrames (const std::vector< std::shared_ptr< Matter > > &path, const std::vector< ConFrameMetadata > &metadata_per_image)
	Build NEB band ConFrames without writing (clone builder path of writeNebPath).
IoStatus	eonc::io::writeConFrames (std::string filename, const std::vector< readcon::ConFrame > &frames)
	Write already-built ConFrames to a multi-frame .con (temp or durable).
IoStatus	eonc::io::writeNebPath (std::string filename, const std::vector< std::shared_ptr< Matter > > &path, const std::vector< ConFrameMetadata > &metadata_per_image)
	Write a full NEB path as one multi-frame .con using ConFrameBuilder::clone().
std::pair< std::array< double, 3 >, std::array< double, 3 > >	eonc::io::cell_to_lengths_angles (const Matter &m)