# Copyright 2018 by Francesco Gastaldello. All rights reserved.
#
# Converted by Francesco Gastaldello from an older unit test copyright 2002
# by Thomas Hamelryck.
#
# This file is part of the Biopython distribution and governed by your
# choice of the "Biopython License Agreement" or the "BSD 3-Clause License".
# Please see the LICENSE file that should have been included as part of this
# package.
"""Unit tests for the Bio.PDB.ResidueDepth module."""

import unittest
import warnings
from Bio.PDB import PDBParser, ResidueDepth
from Bio import MissingExternalDependencyError
from Bio.PDB.PDBExceptions import PDBConstructionWarning

from subprocess import getoutput

msms_exe = None
try:
    output = getoutput("msms -h")
    if output.startswith("Usage : msms parameters"):
        msms_exe = "msms"
except OSError:
    pass

if not msms_exe:
    raise MissingExternalDependencyError(
        "Install MSMS if you want to use it in Biopython."
    )


class ResidueDepthTests(unittest.TestCase):
    """Test ResidueDepth module."""

    def check_msms(self, prot_file, first_100_residues):
        p = PDBParser()
        with warnings.catch_warnings():
            warnings.simplefilter("ignore", PDBConstructionWarning)
            s = p.get_structure("X", prot_file)
        model = s[0]
        rd = ResidueDepth(model)
        res_chain = ""
        for item in rd.property_list[:100]:
            res_chain = res_chain + item[0].get_resname()
        self.assertEqual(res_chain, first_100_residues)

    def test_ResidueDepth_2XHE(self):
        self.check_msms(
            "PDB/2XHE.pdb",
            "HISMETSERLEULYSSERALAVALLYSTHRVALLEUTHRASNSERLEUARGSERVALALAASPGLYGLYASPTR"
            "PLYSVALLEUVALVALASPLYSPROALALEUARGMETILESERGLUCYSALAARGMETSERGLUILELEUASPL"
            "EUGLYVALTHRVALVALGLUASPVALSERLYSGLNARGLYSVALLEUPROGLNPHEHISGLYVALTYRPHEILE"
            "GLUPROTHRGLUGLUASNLEUASPTYRVALILEARGASPPHEALAASPARGTHRPROTHRTYRGLUALAALAHI"
            "SLEU",
        )

    def test_ResidueDepth_2BEG(self):
        self.check_msms(
            "PDB/2BEG.pdb",
            "LEUVALPHEPHEALAGLUASPVALGLYSERASNLYSGLYALAILEILEGLYLEUMETVALGLYGLYVALVALIL"
            "EALALEUVALPHEPHEALAGLUASPVALGLYSERASNLYSGLYALAILEILEGLYLEUMETVALGLYGLYVALV"
            "ALILEALALEUVALPHEPHEALAGLUASPVALGLYSERASNLYSGLYALAILEILEGLYLEUMETVALGLYGLY"
            "VALVALILEALALEUVALPHEPHEALAGLUASPVALGLYSERASNLYSGLYALAILEILEGLYLEUMETVALGL"
            "YGLY",
        )

    def test_ResidueDepth_1LCD(self):
        self.check_msms(
            "PDB/1LCD.pdb",
            "METLYSPROVALTHRLEUTYRASPVALALAGLUTYRALAGLYVALSERTYRGLNTHRVALSERARGVALVALAS"
            "NGLNALASERHISVALSERALALYSTHRARGGLULYSVALGLUALAALAMETALAGLULEUASNTYRILEPROA"
            "SNARG",
        )

    def test_ResidueDepth_1A8O(self):
        self.check_msms(
            "PDB/1A8O.pdb",
            "MSEASPILEARGGLNGLYPROLYSGLUPROPHEARGASPTYRVALASPARGPHETYRLYSTHRLEUARGALAGL"
            "UGLNALASERGLNGLUVALLYSASNTRPMSETHRGLUTHRLEULEUVALGLNASNALAASNPROASPCYSLYST"
            "HRILELEULYSALALEUGLYPROGLYALATHRLEUGLUGLUMSEMSETHRALACYSGLNGLY",
        )


if __name__ == "__main__":
    runner = unittest.TextTestRunner(verbosity=2)
    unittest.main(testRunner=runner)