mctc_io_read_ctfile Module


Uses


Subroutines

public subroutine read_molfile(self, unit, error)

Arguments

Type IntentOptional 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

public subroutine read_sdf(self, unit, error)

Arguments

Type IntentOptional 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