"""haddock3-restraints validate_tbl subcommand.
The validate_tbl subcommand validates an input TBL file.
Usage:
haddock3-restraints validate_tbl <tbl_file> [--silent] [--quick]
"""
from pathlib import Path
from haddock.libs.librestraints import check_parenthesis, validate_tbldata
[docs]def add_validate_tbl_arguments(validate_tbl_subcommand):
"""Add arguments to the score subcommand."""
validate_tbl_subcommand.add_argument(
"tbl_file",
type=str,
help="TBL file to be validated",
)
validate_tbl_subcommand.add_argument(
"--pcs",
help="PCS mode",
action='store_true',
)
validate_tbl_subcommand.add_argument(
"--quick",
help="Check global formatting before going line by line "
"(opening/closing parenthesis and quotation marks",
action='store_true',
)
validate_tbl_subcommand.add_argument(
"--silent",
help="Only output errors, do not output TBL file at the end",
action='store_true',
)
return validate_tbl_subcommand
[docs]def validate_tbl(tbl_file, pcs, quick=False, silent=False):
"""Get the passive residues."""
if quick:
tbldata = open(tbl_file).read()
# Check the parenthesis and quotation marks opening/closure
check_parenthesis(tbldata)
if Path(tbl_file).exists():
tbldata = open(tbl_file).read()
# Parse and process the restraints
if silent:
validate_tbldata(tbldata, pcs)
else:
print(validate_tbldata(tbldata, pcs))
else:
raise Exception(f"TBL file {tbl_file} does not exist, check the path")
return