NCDK.SMARTS.ParserTest.Parse(string)

Here are the examples of the csharp api NCDK.SMARTS.ParserTest.Parse(string) taken from open source projects. By voting up you can indicate which examples are most useful and appropriate.

263 Examples 7

19 Source : ParserTest.cs
with GNU Lesser General Public License v2.1
from kazuyaujihara

private void Parse(string smarts)
        {
            Parse(smarts, SmartsFlaver.Loose);
        }

19 Source : ParserTest.cs
with GNU Lesser General Public License v2.1
from kazuyaujihara

[TestMethod()]
        public void TestPattern1()
        {
            Parse("[CX4]");
        }

19 Source : ParserTest.cs
with GNU Lesser General Public License v2.1
from kazuyaujihara

[TestMethod()]
        public void TestPattern2()
        {
            Parse("[$([CX2](=C)=C)]");
        }

19 Source : ParserTest.cs
with GNU Lesser General Public License v2.1
from kazuyaujihara

[TestMethod()]
        public void TestPattern3()
        {
            Parse("[$([CX3]=[CX3])]");
        }

19 Source : ParserTest.cs
with GNU Lesser General Public License v2.1
from kazuyaujihara

[TestMethod()]
        public void TestPattern4()
        {
            Parse("[$([CX2]#C)]");
        }

19 Source : ParserTest.cs
with GNU Lesser General Public License v2.1
from kazuyaujihara

[TestMethod()]
        public void TestPattern28()
        {
            Parse("[!#1]");
        }

19 Source : ParserTest.cs
with GNU Lesser General Public License v2.1
from kazuyaujihara

[TestMethod()]
        public void TestPattern31()
        {
            Parse("[NX3;H2,H1;!$(NC=O)]");
        }

19 Source : ParserTest.cs
with GNU Lesser General Public License v2.1
from kazuyaujihara

[TestMethod()]
        public void TestPattern34()
        {
            Parse("[NX3][$(C=C),$(cc)]");
        }

19 Source : ParserTest.cs
with GNU Lesser General Public License v2.1
from kazuyaujihara

[TestMethod()]
        public void TestPattern37()
        {
            Parse("[$([NX3H2,NX4H3+]),$([NX3H](C)(C))][CX4H]([*])[CX3](=[OX1])[OX2H,OX1-,N]");
        }

19 Source : ParserTest.cs
with GNU Lesser General Public License v2.1
from kazuyaujihara

[TestMethod()]
        public void TestPattern41()
        {
            Parse("[CH2X4][CX3](=[OX1])[OH0-,OH]");
        }

19 Source : ParserTest.cs
with GNU Lesser General Public License v2.1
from kazuyaujihara

[TestMethod()]
        public void TestPattern42()
        {
            Parse("[CH2X4][SX2H,SX1H0-]");
        }

19 Source : ParserTest.cs
with GNU Lesser General Public License v2.1
from kazuyaujihara

[TestMethod()]
        public void TestPattern43()
        {
            Parse("[CH2X4][CH2X4][CX3](=[OX1])[OH0-,OH]");
        }

19 Source : ParserTest.cs
with GNU Lesser General Public License v2.1
from kazuyaujihara

[TestMethod()]
        public void TestPattern44()
        {
            Parse("[$([$([NX3H2,NX4H3+]),$([NX3H](C)(C))][CX4H2][CX3](=[OX1])[OX2H,OX1-,N])]");
        }

19 Source : ParserTest.cs
with GNU Lesser General Public License v2.1
from kazuyaujihara

[TestMethod()]
        public void TestPattern45()
        {
            Parse("[CH2X4][#6X3]1:[$([#7X3H+,#7X2H0+0]:[#6X3H]:[#7X3H]),$([#7X3H])]:[#6X3H]:[$([#7X3H+,#7X2H0+0]:[#6X3H]:[#7X3H]),$([#7X3H])]:[#6X3H]1");
        }

19 Source : ParserTest.cs
with GNU Lesser General Public License v2.1
from kazuyaujihara

[TestMethod()]
        public void TestPattern47()
        {
            Parse("[CHX4]([CH3X4])[CH2X4][CH3X4]");
        }

19 Source : ParserTest.cs
with GNU Lesser General Public License v2.1
from kazuyaujihara

[TestMethod()]
        public void TestPattern48()
        {
            Parse("[CH2X4][CHX4]([CH3X4])[CH3X4]");
        }

19 Source : ParserTest.cs
with GNU Lesser General Public License v2.1
from kazuyaujihara

[TestMethod()]
        public void TestPattern49()
        {
            Parse("[CH2X4][CH2X4][CH2X4][CH2X4][NX4+,NX3+0]");
        }

19 Source : ParserTest.cs
with GNU Lesser General Public License v2.1
from kazuyaujihara

[TestMethod()]
        public void TestPattern50()
        {
            Parse("[CH2X4][CH2X4][SX2][CH3X4]");
        }

19 Source : ParserTest.cs
with GNU Lesser General Public License v2.1
from kazuyaujihara

[TestMethod()]
        public void TestPattern51()
        {
            Parse("[CH2X4][cX3]1[cX3H][cX3H][cX3H][cX3H][cX3H]1");
        }

19 Source : ParserTest.cs
with GNU Lesser General Public License v2.1
from kazuyaujihara

[TestMethod()]
        public void TestPattern52()
        {
            Parse("[$([NX3H,NX4H2+]),$([NX3](C)(C)(C))]1[CX4H]([CH2][CH2][CH2]1)[CX3](=[OX1])[OX2H,OX1-,N]");
        }

19 Source : ParserTest.cs
with GNU Lesser General Public License v2.1
from kazuyaujihara

[TestMethod()]
        public void TestPattern53()
        {
            Parse("[CH2X4][OX2H]");
        }

19 Source : ParserTest.cs
with GNU Lesser General Public License v2.1
from kazuyaujihara

[TestMethod()]
        public void TestPattern54()
        {
            Parse("[NX3][CX3]=[SX1]");
        }

19 Source : ParserTest.cs
with GNU Lesser General Public License v2.1
from kazuyaujihara

[TestMethod()]
        public void TestPattern55()
        {
            Parse("[CHX4]([CH3X4])[OX2H]");
        }

19 Source : ParserTest.cs
with GNU Lesser General Public License v2.1
from kazuyaujihara

[TestMethod()]
        public void TestPattern56()
        {
            Parse("[CH2X4][cX3]1[cX3H][nX3H][cX3]2[cX3H][cX3H][cX3H][cX3H][cX3]12");
        }

19 Source : ParserTest.cs
with GNU Lesser General Public License v2.1
from kazuyaujihara

[TestMethod()]
        public void TestPattern57()
        {
            Parse("[CH2X4][cX3]1[cX3H][cX3H][cX3]([OHX2,OH0X1-])[cX3H][cX3H]1");
        }

19 Source : ParserTest.cs
with GNU Lesser General Public License v2.1
from kazuyaujihara

[TestMethod()]
        public void TestPattern58()
        {
            Parse("[CHX4]([CH3X4])[CH3X4]");
        }

19 Source : ParserTest.cs
with GNU Lesser General Public License v2.1
from kazuyaujihara

[TestMethod()]
        public void TestPattern59()
        {
            Parse("[CH3X4]");
        }

19 Source : ParserTest.cs
with GNU Lesser General Public License v2.1
from kazuyaujihara

[TestMethod()]
        public void TestPattern60()
        {
            Parse("[CH2X4][CH2X4][CH2X4][NHX3][CH0X3](=[NH2X3+,NHX2+0])[NH2X3]");
        }

19 Source : ParserTest.cs
with GNU Lesser General Public License v2.1
from kazuyaujihara

[TestMethod()]
        public void TestPattern87()
        {
            Parse("[CX3;$([C]([#6])[#6]),$([CH][#6])]=[NX2][#6]");
        }

19 Source : ParserTest.cs
with GNU Lesser General Public License v2.1
from kazuyaujihara

[TestMethod()]
        public void TestPattern89()
        {
            Parse("[NX3+]=[CX3]");
        }

19 Source : ParserTest.cs
with GNU Lesser General Public License v2.1
from kazuyaujihara

[TestMethod()]
        public void TestPattern92()
        {
            Parse("[CX3](=[OX1])[NX3H0]([NX3H0]([CX3](=[OX1]))[CX3](=[OX1]))[CX3](=[OX1])");
        }

19 Source : ParserTest.cs
with GNU Lesser General Public License v2.1
from kazuyaujihara

[TestMethod()]
        public void TestPattern94()
        {
            Parse("[$([OX1]=[NX3](=[OX1])[OX1-]),$([OX1]=[NX3+]([OX1-])[OX1-])]");
        }

19 Source : ParserTest.cs
with GNU Lesser General Public License v2.1
from kazuyaujihara

[TestMethod()]
        public void TestPattern95()
        {
            Parse("[NX1]#[CX2]");
        }

19 Source : ParserTest.cs
with GNU Lesser General Public License v2.1
from kazuyaujihara

[TestMethod()]
        public void TestPattern96()
        {
            Parse("[CX1-]#[NX2+]");
        }

19 Source : ParserTest.cs
with GNU Lesser General Public License v2.1
from kazuyaujihara

[TestMethod()]
        public void TestPattern97()
        {
            Parse("[$([NX3](=O)=O),$([NX3+](=O)[O-])][!#8]");
        }

19 Source : ParserTest.cs
with GNU Lesser General Public License v2.1
from kazuyaujihara

[TestMethod()]
        public void TestPattern119()
        {
            Parse("[#16X2H0]");
        }

19 Source : ParserTest.cs
with GNU Lesser General Public License v2.1
from kazuyaujihara

[TestMethod()]
        public void TestPattern120()
        {
            Parse("[#16X2H0][!#16]");
        }

19 Source : ParserTest.cs
with GNU Lesser General Public License v2.1
from kazuyaujihara

[TestMethod()]
        public void TestPattern121()
        {
            Parse("[#16X2H0][#16X2H0]");
        }

19 Source : ParserTest.cs
with GNU Lesser General Public License v2.1
from kazuyaujihara

[TestMethod()]
        public void TestPattern122()
        {
            Parse("[#16X2H0][!#16].[#16X2H0][!#16]");
        }

19 Source : ParserTest.cs
with GNU Lesser General Public License v2.1
from kazuyaujihara

[TestMethod()]
        public void TestPattern123()
        {
            Parse("[$([#16X3](=[OX1])[OX2H0]),$([#16X3+]([OX1-])[OX2H0])]");
        }

19 Source : ParserTest.cs
with GNU Lesser General Public License v2.1
from kazuyaujihara

[TestMethod()]
        public void TestPattern132()
        {
            Parse("[$([#16X3]=[OX1]),$([#16X3+][OX1-])]");
        }

19 Source : ParserTest.cs
with GNU Lesser General Public License v2.1
from kazuyaujihara

[TestMethod()]
        public void TestPattern133()
        {
            Parse("[$([#16X3](=[OX1])([#6])[#6]),$([#16X3+]([OX1-])([#6])[#6])]");
        }

19 Source : ParserTest.cs
with GNU Lesser General Public License v2.1
from kazuyaujihara

[TestMethod()]
        public void TestPattern134()
        {
            Parse("[$([#16X4](=[OX1])(=[OX1])([OX2H,OX1H0-])[OX2][#6]),$([#16X4+2]([OX1-])([OX1-])([OX2H,OX1H0-])[OX2][#6])]");
        }

19 Source : ParserTest.cs
with GNU Lesser General Public License v2.1
from kazuyaujihara

[TestMethod()]
        public void TestPattern135()
        {
            Parse("[$([SX4](=O)(=O)(O)O),$([SX4+2]([O-])([O-])(O)O)]");
        }

19 Source : ParserTest.cs
with GNU Lesser General Public License v2.1
from kazuyaujihara

[TestMethod()]
        public void TestPattern136()
        {
            Parse("[$([#16X4](=[OX1])(=[OX1])([OX2][#6])[OX2][#6]),$([#16X4](=[OX1])(=[OX1])([OX2][#6])[OX2][#6])]");
        }

19 Source : ParserTest.cs
with GNU Lesser General Public License v2.1
from kazuyaujihara

[TestMethod()]
        public void TestPattern137()
        {
            Parse("[$([#16X4]([NX3])(=[OX1])(=[OX1])[OX2][#6]),$([#16X4+2]([NX3])([OX1-])([OX1-])[OX2][#6])]");
        }

19 Source : ParserTest.cs
with GNU Lesser General Public License v2.1
from kazuyaujihara

[TestMethod()]
        public void TestPattern138()
        {
            Parse("[$([#16X4]([NX3])(=[OX1])(=[OX1])[OX2H,OX1H0-]),$([#16X4+2]([NX3])([OX1-])([OX1-])[OX2H,OX1H0-])]");
        }

19 Source : ParserTest.cs
with GNU Lesser General Public License v2.1
from kazuyaujihara

[TestMethod()]
        public void TestPattern139()
        {
            Parse("[#16X2][OX2H,OX1H0-]");
        }

19 Source : ParserTest.cs
with GNU Lesser General Public License v2.1
from kazuyaujihara

[TestMethod()]
        public void TestPattern140()
        {
            Parse("[#16X2][OX2H0]");
        }

19 Source : ParserTest.cs
with GNU Lesser General Public License v2.1
from kazuyaujihara

[TestMethod()]
        public void TestPattern141()
        {
            Parse("[#6][F,Cl,Br,I]");
        }

See More Examples