Package schrodinger :: Package application :: Package desmond :: Package packages :: Module cui

Module cui

Common command-line interface for Desmond scripts

Classes

LazyParser
Some argument parsers are so slow, e.g., the msys parser.

CommandLine
Use this class to define common command line arguments such input cms file, input trajectory, output file base name, trajectory slicing option, and so on.

Functions

[hide private]

info(message)

warn(message)

error(message, exit_code=1, should_exit=True)

_parse_slice(s)

_cms_only(s)

_msys_cms(s)

_read_mae(s)

_parse_trj(s)

_parse_out(s)

_validate_asl(value)

Variables

[hide private]

REQUIRE_CMS_ONLY = 1

REQUIRE_MSYS_CMS = 2

REQUIRE_TRJ = 4

REQUIRE_OUT = 8

OPTIONAL_TRJ = 16

SLICE_TRJ = 32

REF_MAE = 64

REF_FRAME = 128

__package__ = 'schrodinger.application.desmond.packages'