make multi-line regex checks compatible with googletests Windows regex syntax
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@ -173,7 +173,8 @@ TEST_F(MoleculeFileTest, minimal)
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BEGIN_CAPTURE_OUTPUT();
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BEGIN_CAPTURE_OUTPUT();
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run_mol_cmd(test_name, "", "Comment\n1 atoms\n\n Coords\n\n 1 0.0 0.0 0.0\n");
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run_mol_cmd(test_name, "", "Comment\n1 atoms\n\n Coords\n\n 1 0.0 0.0 0.0\n");
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auto output = END_CAPTURE_OUTPUT();
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auto output = END_CAPTURE_OUTPUT();
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ASSERT_THAT(output, ContainsRegex(".*Read molecule template.*1 molecules.*1 atoms.*0 bonds.*"));
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ASSERT_THAT(output, ContainsRegex(".*Read molecule template.*\n.*1 molecules.*\n"
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".*1 atoms.*\n.*0 bonds.*"));
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}
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}
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TEST_F(MoleculeFileTest, notype)
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TEST_F(MoleculeFileTest, notype)
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@ -184,7 +185,8 @@ TEST_F(MoleculeFileTest, notype)
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command("create_box 1 box");
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command("create_box 1 box");
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run_mol_cmd(test_name, "", "Comment\n1 atoms\n\n Coords\n\n 1 0.0 0.0 0.0\n");
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run_mol_cmd(test_name, "", "Comment\n1 atoms\n\n Coords\n\n 1 0.0 0.0 0.0\n");
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auto output = END_CAPTURE_OUTPUT();
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auto output = END_CAPTURE_OUTPUT();
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ASSERT_THAT(output, ContainsRegex(".*Read molecule template.*1 molecules.*1 atoms.*0 bonds.*"));
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ASSERT_THAT(output, ContainsRegex(".*Read molecule template.*\n.*1 molecules.*\n"
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".*1 atoms.*\n.*0 bonds.*"));
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TEST_FAILURE(".*ERROR: Create_atoms molecule must have atom types.*",
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TEST_FAILURE(".*ERROR: Create_atoms molecule must have atom types.*",
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command("create_atoms 0 single 0.0 0.0 0.0 mol notype 542465"););
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command("create_atoms 0 single 0.0 0.0 0.0 mol notype 542465"););
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}
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}
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@ -211,8 +213,8 @@ TEST_F(MoleculeFileTest, twomols)
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" Coords\n\n 1 0.0 0.0 0.0\n 2 0.0 0.0 1.0\n"
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" Coords\n\n 1 0.0 0.0 0.0\n 2 0.0 0.0 1.0\n"
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" Molecules\n\n 1 1\n 2 2\n\n Types\n\n 1 1\n 2 2\n\n");
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" Molecules\n\n 1 1\n 2 2\n\n Types\n\n 1 1\n 2 2\n\n");
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auto output = END_CAPTURE_OUTPUT();
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auto output = END_CAPTURE_OUTPUT();
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ASSERT_THAT(output, ContainsRegex(".*Read molecule template.*2 molecules.*2 atoms "
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ASSERT_THAT(output, ContainsRegex(".*Read molecule template.*\n.*2 molecules.*\n"
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"with max type 2.*0 bonds.*"));
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".*2 atoms with max type 2.*\n.*0 bonds.*"));
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}
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}
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TEST_F(MoleculeFileTest, twofiles)
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TEST_F(MoleculeFileTest, twofiles)
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@ -220,12 +222,12 @@ TEST_F(MoleculeFileTest, twofiles)
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BEGIN_CAPTURE_OUTPUT();
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BEGIN_CAPTURE_OUTPUT();
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command("molecule twomols moltest.h2o.mol moltest.co2.mol offset 2 1 1 0 0");
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command("molecule twomols moltest.h2o.mol moltest.co2.mol offset 2 1 1 0 0");
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auto output = END_CAPTURE_OUTPUT();
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auto output = END_CAPTURE_OUTPUT();
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ASSERT_THAT(output, ContainsRegex(".*Read molecule template twomols:.*1 molecules.*3 atoms "
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ASSERT_THAT(output, ContainsRegex(".*Read molecule template twomols:.*\n.*1 molecules.*\n"
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"with max type 2.*2 bonds with max type 1.*"
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".*3 atoms with max type 2.*\n.*2 bonds with max type 1.*\n"
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"1 angles with max type 1.*0 dihedrals.*"
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".*1 angles with max type 1.*\n.*0 dihedrals.*\n"
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".*Read molecule template twomols:.*1 molecules.*3 atoms "
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".*Read molecule template twomols:.*\n.*1 molecules.*\n"
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"with max type 4.*2 bonds with max type 2.*"
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".*3 atoms with max type 4.*\n.*2 bonds with max type 2.*\n"
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"1 angles with max type 2.*0 dihedrals.*"));
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".*1 angles with max type 2.*\n.*0 dihedrals.*"));
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}
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}
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TEST_F(MoleculeFileTest, bonds)
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TEST_F(MoleculeFileTest, bonds)
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@ -254,8 +256,9 @@ TEST_F(MoleculeFileTest, bonds)
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" 1 1 1 2\n"
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" 1 1 1 2\n"
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" 2 2 1 3\n\n");
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" 2 2 1 3\n\n");
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auto output = END_CAPTURE_OUTPUT();
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auto output = END_CAPTURE_OUTPUT();
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ASSERT_THAT(output, ContainsRegex(".*Read molecule template.*1 molecules.*4 atoms.*type.*2.*"
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ASSERT_THAT(output, ContainsRegex(".*Read molecule template.*\n.*1 molecules.*\n"
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"2 bonds.*type.*2.*0 angles.*"));
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".*4 atoms.*type.*2.*\n"
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".*2 bonds.*type.*2.*\n.*0 angles.*"));
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BEGIN_CAPTURE_OUTPUT();
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BEGIN_CAPTURE_OUTPUT();
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command("mass * 2.0");
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command("mass * 2.0");
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