parsertest.java

化学图形处理软件

    }
    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+]),$([NX4]=*)]");
    }
    public void testPattern157() throws Exception {
        parse("[$([SX3]=N)]");
    }
    public void testPattern158() throws Exception {
        parse("[$([SX1]=[#6])]");
    }
    public void testPattern159() throws Exception {
        parse("[$([NX1]#*)]");
    }
    public void testPattern160() throws Exception {
        parse("[$([OX2])]");
    }
    public void testPattern161() throws Exception {
        parse("[R0;D2][R0;D2][R0;D2][R0;D2]");
    }
    public void testPattern162() throws Exception {
        parse("[R0;D2]~[R0;D2]~[R0;D2]~[R0;D2]");
    }
    public void testPattern163() throws Exception {
        parse("[AR0]~[AR0]~[AR0]~[AR0]~[AR0]~[AR0]~[AR0]~[AR0]");
    }
    public void testPattern164() throws Exception {
        parse("[!$([#6+0]);!$(C(F)(F)F);!$(c(:[!c]):[!c])!$([#6]=,#[!#6])]");
    }
    public void testPattern165() throws Exception {
        parse("[$([#6+0]);!$(C(F)(F)F);!$(c(:[!c]):[!c])!$([#6]=,#[!#6])]");
    }
    public void testPattern166() throws Exception {
        parse("[$([SX1]~P)]");
    }
    public void testPattern167() throws Exception {
        parse("[$([NX3]C=N)]");
    }
    public void testPattern168() throws Exception {
        parse("[$([NX3]N=C)]");
    }
    public void testPattern169() throws Exception {
        parse("[$([NX3]N=N)]");
    }
    public void testPattern170() throws Exception {
        parse("[$([OX2]C=N)]");
    }
    public void testPattern171() throws Exception {
        parse("[!$(*#*)&!D1]-!@[!$(*#*)&!D1]");
    }
    public void testPattern172() throws Exception {
        parse("[$([*R2]([*R])([*R])([*R]))].[$([*R2]([*R])([*R])([*R]))]");
    }
    public void testPattern173() throws Exception {
        parse("*-!:aa-!:*");
    }
    public void testPattern174() throws Exception {
        parse("*-!:aaa-!:*");
    }
    public void testPattern175() throws Exception {
        parse("*-!:aaaa-!:*");
    }
    public void testPattern176() throws Exception {
        parse("*-!@*");
    }
    public void testPattern177() throws Exception { // CIS or TRANS double or aromatic bond in a ring
        parse("*/,\\[R]=,:;@[R]/,\\*");
    }
    public void testPattern178() throws Exception { // Fused benzene rings
        parse("c12ccccc1cccc2");
    }
    public void testPattern179() throws Exception {
        parse("[r;!r3;!r4;!r5;!r6;!r7]");
    }
    public void testPattern180() throws Exception {
        parse("[sX2r5]");
    }
    public void testPattern181() throws Exception {
        parse("[oX2r5]");
    }
    public void testPattern182() throws Exception { // Unfused benzene ring
        parse("[cR1]1[cR1][cR1][cR1][cR1][cR1]1");
    }
    public void testPattern183() throws Exception { // Multiple non-fused benzene rings
        parse("[cR1]1[cR1][cR1][cR1][cR1][cR1]1.[cR1]1[cR1][cR1][cR1][cR1][cR1]1");