diff --git a/modules/conop/tests/test_amino_acids.cc b/modules/conop/tests/test_amino_acids.cc index 2b05d2a0cfc91650567421ae398d1483e657e920..60b8ee3b9fa0bd86321ffb8a6733282d9ea7774c 100644 --- a/modules/conop/tests/test_amino_acids.cc +++ b/modules/conop/tests/test_amino_acids.cc @@ -76,7 +76,7 @@ BOOST_AUTO_TEST_CASE(test_one_letter_code_to_residue_name) { BOOST_CHECK_EQUAL(OneLetterCodeToResidueName('W'), "TRP"); BOOST_CHECK_EQUAL(OneLetterCodeToResidueName('Y'), "TYR"); BOOST_CHECK_EQUAL(OneLetterCodeToResidueName('V'), "VAL"); - // should also wiork if not uppercase! + // should also work if not uppercase! BOOST_CHECK_EQUAL(OneLetterCodeToResidueName('a'), "ALA"); BOOST_CHECK_EQUAL(OneLetterCodeToResidueName('r'), "ARG"); BOOST_CHECK_EQUAL(OneLetterCodeToResidueName('n'), "ASN"); @@ -124,7 +124,7 @@ BOOST_AUTO_TEST_CASE(test_one_letter_code_to_amino_acid) { BOOST_CHECK_EQUAL(OneLetterCodeToAminoAcid('W'), TRP); BOOST_CHECK_EQUAL(OneLetterCodeToAminoAcid('Y'), TYR); BOOST_CHECK_EQUAL(OneLetterCodeToAminoAcid('V'), VAL); - // should also wiork if not uppercase! + // should also work if not uppercase! BOOST_CHECK_EQUAL(OneLetterCodeToAminoAcid('a'), ALA); BOOST_CHECK_EQUAL(OneLetterCodeToAminoAcid('r'), ARG); BOOST_CHECK_EQUAL(OneLetterCodeToAminoAcid('n'), ASN); @@ -172,7 +172,7 @@ BOOST_AUTO_TEST_CASE(test_residue_name_to_one_letter_code) { BOOST_CHECK_EQUAL(ResidueNameToOneLetterCode("TRP"), 'W'); BOOST_CHECK_EQUAL(ResidueNameToOneLetterCode("TYR"), 'Y'); BOOST_CHECK_EQUAL(ResidueNameToOneLetterCode("VAL"), 'V'); - // should also wiork if not uppercase! + // should also work if not uppercase! BOOST_CHECK_EQUAL(ResidueNameToOneLetterCode("Ala"), 'A'); BOOST_CHECK_EQUAL(ResidueNameToOneLetterCode("Arg"), 'R'); BOOST_CHECK_EQUAL(ResidueNameToOneLetterCode("Asn"), 'N'); @@ -193,6 +193,11 @@ BOOST_AUTO_TEST_CASE(test_residue_name_to_one_letter_code) { BOOST_CHECK_EQUAL(ResidueNameToOneLetterCode("Trp"), 'W'); BOOST_CHECK_EQUAL(ResidueNameToOneLetterCode("Tyr"), 'Y'); BOOST_CHECK_EQUAL(ResidueNameToOneLetterCode("Val"), 'V'); + // non-standard amino acids + BOOST_CHECK_EQUAL(ResidueNameToOneLetterCode("MSE"), 'X'); + BOOST_CHECK_EQUAL(ResidueNameToOneLetterCode("SEC"), 'X'); + BOOST_CHECK_EQUAL(ResidueNameToOneLetterCode("PYL"), 'X'); + BOOST_CHECK_EQUAL(ResidueNameToOneLetterCode("PCA"), 'X'); // unknown ones BOOST_CHECK_EQUAL(ResidueNameToOneLetterCode("MUH"), 'X'); BOOST_CHECK_EQUAL(ResidueNameToOneLetterCode("FOO"), 'X'); @@ -220,7 +225,7 @@ BOOST_AUTO_TEST_CASE(test_residue_name_to_amino_acid) { BOOST_CHECK_EQUAL(ResidueNameToAminoAcid("TRP"), TRP); BOOST_CHECK_EQUAL(ResidueNameToAminoAcid("TYR"), TYR); BOOST_CHECK_EQUAL(ResidueNameToAminoAcid("VAL"), VAL); - // should also wiork if not uppercase! + // should also work if not uppercase! BOOST_CHECK_EQUAL(ResidueNameToAminoAcid("Ala"), ALA); BOOST_CHECK_EQUAL(ResidueNameToAminoAcid("Arg"), ARG); BOOST_CHECK_EQUAL(ResidueNameToAminoAcid("Asn"), ASN); @@ -241,6 +246,11 @@ BOOST_AUTO_TEST_CASE(test_residue_name_to_amino_acid) { BOOST_CHECK_EQUAL(ResidueNameToAminoAcid("Trp"), TRP); BOOST_CHECK_EQUAL(ResidueNameToAminoAcid("Tyr"), TYR); BOOST_CHECK_EQUAL(ResidueNameToAminoAcid("Val"), VAL); + // non-standard amino acids + BOOST_CHECK_EQUAL(ResidueNameToAminoAcid("MSE"), XXX); + BOOST_CHECK_EQUAL(ResidueNameToAminoAcid("SEC"), XXX); + BOOST_CHECK_EQUAL(ResidueNameToAminoAcid("PYL"), XXX); + BOOST_CHECK_EQUAL(ResidueNameToAminoAcid("PCA"), XXX); // unknown ones BOOST_CHECK_EQUAL(ResidueNameToAminoAcid("MUH"), XXX); BOOST_CHECK_EQUAL(ResidueNameToAminoAcid("FOO"), XXX);