IO¶

class psi4.core.IO¶

Bases: pybind11_builtins.pybind11_object

docstring

Methods Summary

`change_file_namespace`(fileno, ns1, ns2)	Change file number from ns1 to ns2
`close`(self, unit, keep)	Close unit.
`exists`(self, unit)	Check if the unit exists.
`get_default_namespace`()	Get the default namespace (for PREFIX.NAMESPACE.UNIT file numbering)
`getpid`(self)	Lookup process id
`open`(self, unit, status)	Open unit.
`open_check`(self, unit)	Return 1 if unit is open
`rehash`(self, unit)	Sync up the object to the file on disk by closing and opening the file, if necessary
`set_default_namespace`(ns)	Set the current namespace (for PREFIX.NAMESPACE.UNIT file numbering)
`set_pid`(self, pid)	Set process id
`shared_object`()	Return the global shared object
`state`(self)	Return 1 if PSIO library is activated
`tocclean`(self, unit, key)	Delete all TOC entries after the given key.
`tocentry_exists`(self, arg0, arg1)	Checks the TOC to see if a particular keyword exists there or not
`tocprint`(self, arg0)	Print the table of contents for the given unit
`tocscan`(self, arg0, arg1)	Seek string in binary file.
`tocwrite`(self, arg0)	Write the table of contents for passed file number

Methods Documentation

change_file_namespace(fileno: int, ns1: str, ns2: str) → None¶: Change file number from ns1 to ns2

close(self: psi4.core.IO, unit: int, keep: int) → None¶: Close unit. If keep == 0, will remove the file, else keep it

exists(self: psi4.core.IO, unit: int) → bool¶: Check if the unit exists.

get_default_namespace() → str¶: Get the default namespace (for PREFIX.NAMESPACE.UNIT file numbering)

open(self: psi4.core.IO, unit: int, status: int) → None¶: Open unit. Status can be PSIO_OPEN_OLD (if existing file is to be opened) or PSIO_OPEN_NEW if new file should be open

open_check(self: psi4.core.IO, unit: int) → int¶: Return 1 if unit is open

rehash(self: psi4.core.IO, unit: int) → None¶: Sync up the object to the file on disk by closing and opening the file, if necessary

set_default_namespace(ns: str) → None¶: Set the current namespace (for PREFIX.NAMESPACE.UNIT file numbering)

tocclean(self: psi4.core.IO, unit: int, key: str) → None¶: Delete all TOC entries after the given key. If a blank key is given, the entire TOC will be wiped

tocentry_exists(self: psi4.core.IO, arg0: int, arg1: str) → bool¶: Checks the TOC to see if a particular keyword exists there or not

tocprint(self: psi4.core.IO, arg0: int) → None¶: Print the table of contents for the given unit

tocscan(self: psi4.core.IO, arg0: int, arg1: str) → psi::psio_entry¶: Seek string in binary file. This export is only good for catching None, as returned success object not exported.

tocwrite(self: psi4.core.IO, arg0: int) → None¶: Write the table of contents for passed file number

change_file_namespace(fileno: int, ns1: str, ns2: str) → None: Change file number from ns1 to ns2

close(self: psi4.core.IO, unit: int, keep: int) → None: Close unit. If keep == 0, will remove the file, else keep it

exists(self: psi4.core.IO, unit: int) → bool: Check if the unit exists.

get_default_namespace() → str: Get the default namespace (for PREFIX.NAMESPACE.UNIT file numbering)

open(self: psi4.core.IO, unit: int, status: int) → None: Open unit. Status can be PSIO_OPEN_OLD (if existing file is to be opened) or PSIO_OPEN_NEW if new file should be open

open_check(self: psi4.core.IO, unit: int) → int: Return 1 if unit is open

rehash(self: psi4.core.IO, unit: int) → None: Sync up the object to the file on disk by closing and opening the file, if necessary

set_default_namespace(ns: str) → None: Set the current namespace (for PREFIX.NAMESPACE.UNIT file numbering)

tocclean(self: psi4.core.IO, unit: int, key: str) → None: Delete all TOC entries after the given key. If a blank key is given, the entire TOC will be wiped

tocentry_exists(self: psi4.core.IO, arg0: int, arg1: str) → bool: Checks the TOC to see if a particular keyword exists there or not

tocprint(self: psi4.core.IO, arg0: int) → None: Print the table of contents for the given unit

tocscan(self: psi4.core.IO, arg0: int, arg1: str) → psi::psio_entry: Seek string in binary file. This export is only good for catching None, as returned success object not exported.

tocwrite(self: psi4.core.IO, arg0: int) → None: Write the table of contents for passed file number