Print dots

A program that enables dots to printed to the screen to show the progress of another example program.

Example

prompt> convert.py input.mol2 .oeb.gz | dots.py .oeb.gz output.oeb.gz

Code

Download code

dots.py

#!/usr/bin/env python
# (C) 2022 Cadence Design Systems, Inc. (Cadence) 
# All rights reserved.
# TERMS FOR USE OF SAMPLE CODE The software below ("Sample Code") is
# provided to current licensees or subscribers of Cadence products or
# SaaS offerings (each a "Customer").
# Customer is hereby permitted to use, copy, and modify the Sample Code,
# subject to these terms. Cadence claims no rights to Customer's
# modifications. Modification of Sample Code is at Customer's sole and
# exclusive risk. Sample Code may require Customer to have a then
# current license or subscription to the applicable Cadence offering.
# THE SAMPLE CODE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND,
# EXPRESS OR IMPLIED.  OPENEYE DISCLAIMS ALL WARRANTIES, INCLUDING, BUT
# NOT LIMITED TO, WARRANTIES OF MERCHANTABILITY, FITNESS FOR A
# PARTICULAR PURPOSE AND NONINFRINGEMENT. In no event shall Cadence be
# liable for any damages or liability in connection with the Sample Code
# or its use.

#############################################################################
# Show dots when piping example programs
#############################################################################
import sys
from openeye import oechem


def main(argv=[__name__]):
    if len(argv) < 3 or len(argv) > 4:
        oechem.OEThrow.Usage("%s <infile> <outfile> [interval, default = 100]" % argv[0])

    ifs = oechem.oemolistream()
    if not ifs.open(argv[1]):
        oechem.OEThrow.Fatal("Unable to open %s for reading" % argv[1])

    ofs = oechem.oemolostream()
    if not ofs.open(argv[2]):
        oechem.OEThrow.Fatal("Unable to open %s for writing" % argv[2])

    dots = oechem.OEDots(100, 10, "molecules")

    if len(argv) == 4:
        i = int(argv[3])
        dots.SetBigStep(i)
        dots.SetSmallStep(i / 10)

    for mol in ifs.GetOEMols():
        oechem.OEWriteMolecule(ofs, mol)
        dots.Update()


if __name__ == "__main__":
    sys.exit(main(sys.argv))