📄 parsertest.java
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parse("[NX3][CX3]=[SX1]");
}
public void testPattern55() throws Exception {
parse("[CHX4]([CH3X4])[OX2H]");
}
public void testPattern56() throws Exception {
parse("[CH2X4][cX3]1[cX3H][nX3H][cX3]2[cX3H][cX3H][cX3H][cX3H][cX3]12");
}
public void testPattern57() throws Exception {
parse("[CH2X4][cX3]1[cX3H][cX3H][cX3]([OHX2,OH0X1-])[cX3H][cX3H]1");
}
public void testPattern58() throws Exception {
parse("[CHX4]([CH3X4])[CH3X4]");
}
public void testPattern59() throws Exception {
parse("[CH3X4]");
}
public void testPattern60() throws Exception {
parse("[CH2X4][CH2X4][CH2X4][NHX3][CH0X3](=[NH2X3+,NHX2+0])[NH2X3]");
}
public void testPattern61() throws Exception {
parse("[CH2X4][CX3](=[OX1])[NX3H2]");
}
public void testPattern62() throws Exception {
parse("[CH2X4][CX3](=[OX1])[OH0-,OH]");
}
public void testPattern63() throws Exception {
parse("[CH2X4][SX2H,SX1H0-]");
}
public void testPattern64() throws Exception {
parse("[CH2X4][CH2X4][CX3](=[OX1])[OH0-,OH]");
}
public void testPattern65() throws Exception {
parse("[CH2X4][#6X3]1:[$([#7X3H+,#7X2H0+0]:[#6X3H]:[#7X3H]),$([#7X3H])]:[#6X3H]:[$([#7X3H+,#7X2H0+0]:[#6X3H]:[#7X3H]),$([#7X3H])]:[#6X3H]1");
}
public void testPattern67() throws Exception {
parse("[CHX4]([CH3X4])[CH2X4][CH3X4]");
}
public void testPattern68() throws Exception {
parse("[CH2X4][CHX4]([CH3X4])[CH3X4]");
}
public void testPattern69() throws Exception {
parse("[CH2X4][CH2X4][CH2X4][CH2X4][NX4+,NX3+0]");
}
public void testPattern70() throws Exception {
parse("[CH2X4][CH2X4][SX2][CH3X4]");
}
public void testPattern71() throws Exception {
parse("[CH2X4][cX3]1[cX3H][cX3H][cX3H][cX3H][cX3H]1");
}
public void testPattern72() throws Exception {
parse("[CH2X4][OX2H]");
}
public void testPattern73() throws Exception {
parse("[CHX4]([CH3X4])[OX2H]");
}
public void testPattern74() throws Exception {
parse("[CH2X4][cX3]1[cX3H][nX3H][cX3]2[cX3H][cX3H][cX3H][cX3H][cX3]12");
}
public void testPattern75() throws Exception {
parse("[CH2X4][cX3]1[cX3H][cX3H][cX3]([OHX2,OH0X1-])[cX3H][cX3H]1");
}
public void testPattern76() throws Exception {
parse("[CHX4]([CH3X4])[CH3X4]");
}
public void testPattern77() throws Exception {
parse("[$(*-[NX2-]-[NX2+]#[NX1]),$(*-[NX2]=[NX2+]=[NX1-])]");
}
public void testPattern78() throws Exception {
parse("[$([NX1-]=[NX2+]=[NX1-]),$([NX1]#[NX2+]-[NX1-2])]");
}
public void testPattern79() throws Exception {
parse("[#7]");
}
public void testPattern80() throws Exception {
parse("[NX2]=N");
}
public void testPattern81() throws Exception {
parse("[NX2]=[NX2]");
}
public void testPattern82() throws Exception {
parse("[$([NX2]=[NX3+]([O-])[#6]),$([NX2]=[NX3+0](=[O])[#6])]");
}
public void testPattern83() throws Exception {
parse("[$([#6]=[N+]=[N-]),$([#6-]-[N+]#[N])]");
}
public void testPattern84() throws Exception {
parse("[$([nr5]:[nr5,or5,sr5]),$([nr5]:[cr5]:[nr5,or5,sr5])]");
}
public void testPattern85() throws Exception {
parse("[NX3][NX3]");
}
public void testPattern86() throws Exception {
parse("[NX3][NX2]=[*]");
}
public void testPattern87() throws Exception {
parse("[CX3;$([C]([#6])[#6]),$([CH][#6])]=[NX2][#6]");
}
public void testPattern88() throws Exception {
parse("[$([CX3]([#6])[#6]),$([CX3H][#6])]=[$([NX2][#6]),$([NX2H])]");
}
public void testPattern89() throws Exception {
parse("[NX3+]=[CX3]");
}
public void testPattern90() throws Exception {
parse("[CX3](=[OX1])[NX3H][CX3](=[OX1])");
}
public void testPattern91() throws Exception {
parse("[CX3](=[OX1])[NX3H0]([#6])[CX3](=[OX1])");
}
public void testPattern92() throws Exception {
parse("[CX3](=[OX1])[NX3H0]([NX3H0]([CX3](=[OX1]))[CX3](=[OX1]))[CX3](=[OX1])");
}
public void testPattern93() throws Exception {
parse("[$([NX3](=[OX1])(=[OX1])O),$([NX3+]([OX1-])(=[OX1])O)]");
}
public void testPattern94() throws Exception {
parse("[$([OX1]=[NX3](=[OX1])[OX1-]),$([OX1]=[NX3+]([OX1-])[OX1-])]");
}
public void testPattern95() throws Exception {
parse("[NX1]#[CX2]");
}
public void testPattern96() throws Exception {
parse("[CX1-]#[NX2+]");
}
public void testPattern97() throws Exception {
parse("[$([NX3](=O)=O),$([NX3+](=O)[O-])][!#8]");
}
public void testPattern98() throws Exception {
parse("[$([NX3](=O)=O),$([NX3+](=O)[O-])][!#8].[$([NX3](=O)=O),$([NX3+](=O)[O-])][!#8]");
}
public void testPattern99() throws Exception {
parse("[NX2]=[OX1]");
}
public void testPattern101() throws Exception {
parse("[$([#7+][OX1-]),$([#7v5]=[OX1]);!$([#7](~[O])~[O]);!$([#7]=[#7])]");
}
public void testPattern102() throws Exception {
parse("[OX2H]");
}
public void testPattern103() throws Exception {
parse("[#6][OX2H]");
}
public void testPattern104() throws Exception {
parse("[OX2H][CX3]=[OX1]");
}
public void testPattern105() throws Exception {
parse("[OX2H]P");
}
public void testPattern106() throws Exception {
parse("[OX2H][#6X3]=[#6]");
}
public void testPattern107() throws Exception {
parse("[OX2H][cX3]:[c]");
}
public void testPattern108() throws Exception {
parse("[OX2H][$(C=C),$(cc)]");
}
public void testPattern109() throws Exception {
parse("[$([OH]-*=[!#6])]");
}
public void testPattern110() throws Exception {
parse("[OX2,OX1-][OX2,OX1-]");
}
public void testPattern111() throws Exception { // Phosphoric_acid groups.
parse("[$(P(=[OX1])([$([OX2H]),$([OX1-]),$([OX2]P)])([$([OX2H]),$([OX1-]),$([OX2]P)])[$([OX2H]),$([OX1-]),$([OX2]P)]),$([P+]([OX1-])([$([OX" +
"2H]),$([OX1-]),$([OX2]P)])([$([OX2H]),$([OX1-]),$([OX2]P)])[$([OX2H]),$([OX1-]),$([OX2]P)])]");
}
public void testPattern112() throws Exception { // Phosphoric_ester groups.
parse("[$(P(=[OX1])([OX2][#6])([$([OX2H]),$([OX1-]),$([OX2][#6])])[$([OX2H]),$([OX1-]),$([OX2][#6]),$([OX2]P)]),$([P+]([OX1-])([OX2][#6])([" +
"$([OX2H]),$([OX1-]),$([OX2][#6])])[$([OX2H]),$([OX1-]),$([OX2][#6]),$([OX2]P)])]");
}
public void testPattern113() throws Exception {
parse("[S-][CX3](=S)[#6]");
}
public void testPattern114() throws Exception {
parse("[#6X3](=[SX1])([!N])[!N]");
}
public void testPattern115() throws Exception {
parse("[SX2]");
}
public void testPattern116() throws Exception {
parse("[#16X2H]");
}
public void testPattern117() throws Exception {
parse("[#16!H0]");
}
public void testPattern118() throws Exception {
parse("[NX3][CX3]=[SX1]");
}
public void testPattern119() throws Exception {
parse("[#16X2H0]");
}
public void testPattern120() throws Exception {
parse("[#16X2H0][!#16]");
}
public void testPattern121() throws Exception {
parse("[#16X2H0][#16X2H0]");
}
public void testPattern122() throws Exception {
parse("[#16X2H0][!#16].[#16X2H0][!#16]");
}
public void testPattern123() throws Exception {
parse("[$([#16X3](=[OX1])[OX2H0]),$([#16X3+]([OX1-])[OX2H0])]");
}
public void testPattern124() throws Exception {
parse("[$([#16X3](=[OX1])[OX2H,OX1H0-]),$([#16X3+]([OX1-])[OX2H,OX1H0-])]");
}
public void testPattern125() throws Exception {
parse("[$([#16X4](=[OX1])=[OX1]),$([#16X4+2]([OX1-])[OX1-])]");
}
public void testPattern126() throws Exception {
parse("[$([#16X4](=[OX1])(=[OX1])([#6])[#6]),$([#16X4+2]([OX1-])([OX1-])([#6])[#6])]");
}
public void testPattern127() throws Exception {
parse("[$([#16X4](=[OX1])(=[OX1])([#6])[OX2H,OX1H0-]),$([#16X4+2]([OX1-])([OX1-])([#6])[OX2H,OX1H0-])]");
}
public void testPattern128() throws Exception {
parse("[$([#16X4](=[OX1])(=[OX1])([#6])[OX2H0]),$([#16X4+2]([OX1-])([OX1-])([#6])[OX2H0])]");
}
public void testPattern129() throws Exception {
parse("[$([#16X4]([NX3])(=[OX1])(=[OX1])[#6]),$([#16X4+2]([NX3])([OX1-])([OX1-])[#6])]");
}
public void testPattern130() throws Exception {
parse("[SX4](C)(C)(=O)=N");
}
public void testPattern131() throws Exception {
parse("[$([SX4](=[OX1])(=[OX1])([!O])[NX3]),$([SX4+2]([OX1-])([OX1-])([!O])[NX3])]");
}
public void testPattern132() throws Exception {
parse("[$([#16X3]=[OX1]),$([#16X3+][OX1-])]");
}
public void testPattern133() throws Exception {
parse("[$([#16X3](=[OX1])([#6])[#6]),$([#16X3+]([OX1-])([#6])[#6])]");
}
public void testPattern134() throws Exception {
parse("[$([#16X4](=[OX1])(=[OX1])([OX2H,OX1H0-])[OX2][#6]),$([#16X4+2]([OX1-])([OX1-])([OX2H,OX1H0-])[OX2][#6])]");
}
public void testPattern135() throws Exception {
parse("[$([SX4](=O)(=O)(O)O),$([SX4+2]([O-])([O-])(O)O)]");
}
public void testPattern136() throws Exception {
parse("[$([#16X4](=[OX1])(=[OX1])([OX2][#6])[OX2][#6]),$([#16X4](=[OX1])(=[OX1])([OX2][#6])[OX2][#6])]");
}
public void testPattern137() throws Exception {
parse("[$([#16X4]([NX3])(=[OX1])(=[OX1])[OX2][#6]),$([#16X4+2]([NX3])([OX1-])([OX1-])[OX2][#6])]");
}
public void testPattern138() throws Exception {
parse("[$([#16X4]([NX3])(=[OX1])(=[OX1])[OX2H,OX1H0-]),$([#16X4+2]([NX3])([OX1-])([OX1-])[OX2H,OX1H0-])]");
}
public void testPattern139() throws Exception {
parse("[#16X2][OX2H,OX1H0-]");
}
public void testPattern140() throws Exception {
parse("[#16X2][OX2H0]");
}
public void testPattern141() throws Exception {
parse("[#6][F,Cl,Br,I]");
}
public void testPattern142() throws Exception {
parse("[F,Cl,Br,I]");
}
public void testPattern143() throws Exception {
parse("[F,Cl,Br,I].[F,Cl,Br,I].[F,Cl,Br,I]");
}
public void testPattern144() throws Exception {
parse("[CX3](=[OX1])[F,Cl,Br,I]");
}
public void testPattern145() throws Exception {
parse("[$([#6X4@](*)(*)(*)*),$([#6X4@H](*)(*)*)]");
}
public void testPattern146() throws Exception {
parse("[$([cX2+](:*):*)]");
}
public void testPattern147() throws Exception {
parse("[$([cX3](:*):*),$([cX2+](:*):*)]");
}
public void testPattern148() throws Exception {
parse("[$([cX3](:*):*),$([cX2+](:*):*),$([CX3]=*),$([CX2+]=*)]");
}
public void testPattern149() throws Exception {
parse("[$([nX3](:*):*),$([nX2](:*):*),$([#7X2]=*),$([NX3](=*)=*),$([#7X3+](-*)=*),$([#7X3+H]=*)]");
}
public void testPattern150() throws Exception {
parse("[$([#1X1][$([nX3](:*):*),$([nX2](:*):*),$([#7X2]=*),$([NX3](=*)=*),$([#7X3+](-*)=*),$([#7X3+H]=*)])]");
}
public void testPattern151() throws Exception {
parse("[$([NX4+]),$([NX3]);!$(*=*)&!$(*:*)]");
}
public void testPattern152() throws Exception {
parse("[$([#1X1][$([NX4+]),$([NX3]);!$(*=*)&!$(*:*)])]");
}
public void testPattern153() throws Exception {
parse("[$([$([NX3]=O),$([NX3+][O-])])]");
}
public void testPattern154() throws Exception {
parse("[$([$([NX4]=O),$([NX4+][O-])])]");
}
public void testPattern155() throws Exception {
parse("[$([$([NX4]=O),$([NX4+][O-,#0])])]");
}
public void testPattern156() throws Exception {
parse("[$([NX4+]),$([NX4]=*)]");
}
public void testPattern157() throws Exception {
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