mctc_io_read Module

Uses

Interfaces

public interface read_structure

private subroutine read_structure_from_file(self, file, error, format)

Arguments

Type	Intent	Optional	Attributes		Name
type(structure_type),	intent(out)			::	self	Instance of the molecular structure data
character(len=*),	intent(in)			::	file	Name of the file to read
type(error_type),	intent(out),		allocatable	::	error	Error handling
integer,	intent(in),	optional		::	format	File type format hint

private subroutine read_structure_from_unit(self, unit, ftype, error)

Arguments

Type	Intent	Optional	Attributes		Name
type(structure_type),	intent(out)			::	self	Instance of the molecular structure data
integer,	intent(in)			::	unit	File handle
integer,	intent(in)			::	ftype	File type to read
type(error_type),	intent(out),		allocatable	::	error	Error handling

Abstract Interfaces

abstract interface

public subroutine structure_reader(self, unit, error)

Read molecular structure data from formatted unit

Arguments

Type	Intent	Optional	Attributes		Name
type(structure_type),	intent(out)			::	self	Instance of the molecular structure data
integer,	intent(in)			::	unit	File handle
type(error_type),	intent(out),		allocatable	::	error	Error handling

Subroutines

public subroutine get_structure_reader(reader, ftype)

Retrieve reader for corresponding file type

Arguments

Type	Intent	Optional	Attributes		Name
procedure(structure_reader),	intent(out),		pointer	::	reader	Reader for the specified file type
integer,	intent(in)			::	ftype	File type to read