rajarshi

[INFO] ------------------------------------------------------------------------
[INFO] BUILD FAILURE
[INFO] ------------------------------------------------------------------------
[INFO] Total time: 1:00.873s
[INFO] Finished at: Fri Aug 15 09:46:17 EDT 2014
[INFO] Final Memory: 5M/81M
[INFO] ------------------------------------------------------------------------
[ERROR] Failed to execute goal on project cdk-bundle: Could not resolve dependencies for project org.openscience.cdk:cdk-bundle:jar:1.5.8-SNAPSHOT: The following artifacts could not be resolved: org.openscience.cdk:cdk-interfaces:jar:1.5.8-SNAPSHOT, org.openscience.cdk:cdk-annotation:jar:1.5.8-SNAPSHOT, org.openscience.cdk:cdk-core:jar:1.5.8-SNAPSHOT, org.openscience.cdk:cdk-standard:jar:1.5.8-SNAPSHOT, org.openscience.cdk:cdk-atomtype:jar:1.5.8-SNAPSHOT, org.openscience.cdk:cdk-valencycheck:jar:1.5.8-SNAPSHOT, org.openscience.cdk:cdk-diff:jar:1.5.8-SNAPSHOT, org.openscience.cdk:cdk-data:jar:1.5.8-SNAPSHOT, org.openscience.cdk:cdk-ioformats:jar:1.5.

rajarshi

library(reshape2)
library(ggplot2)

md <- melt(d, id.vars='var')
ggplot(md, aes(x=title, y=value, group=variable, color=variable))+geom_point()+geom_line()

rajarshi

sssfdf

rajarshi

  Double tolerance = 0.0005;
        MassToFormulaTool mfTool = new MassToFormulaTool(builder);
        List<IRule> rules = new ArrayList<IRule>();

        ToleranceRangeRule trule = new ToleranceRangeRule();
        trule.setParameters(new Object[]{tolerance, tolerance});
        rules.add(trule);

        ElementRule erule= new ElementRule();
        Object[] params =   new Object[1];

rajarshi

Double tolerance = 0.0005;
        MassToFormulaTool mfTool = new MassToFormulaTool(builder);
        List<IRule> rules = new ArrayList<IRule>();

        ToleranceRangeRule trule = new ToleranceRangeRule();
        trule.setParameters(new Object[]{tolerance, tolerance});
        rules.add(trule);

        ChargeRule crule = new ChargeRule();
        crule.setParameters(new Object[]{1.0});

rajarshi

{  
   id:2,
   name:"angiosarcoma",
   description:"A malignant vascular tumor that results_in rapidly proliferating, extensively infiltrating anaplastic cells derived_from blood vessels and derived_from the lining of irregular blood-filled spaces.",
   href:"http://localhost:9000/api/diseases(2)?view=full",
   synonyms:[  
      {  
         id:2,
         label:"DOID",
         term:"DOID:0001816",

rajarshi

ridit <- function(x, category.var, reference.var = NULL, alpha=0.05) {
  if (missing(category.var) || is.null(category.var) || !is.character(category.var))
    stop("Must specify category variable")
  if (!is.factor(x[[category.var]])) stop("category variable must be a factor")
  if (is.null(reference.var)) stop("Must specify reference group")

  ## make local copy
  tmp <- x
  tmp[, c(category.var)] <- list(NULL)
  tmp <- apply(tmp, 2, function(x) x/sum(x))

rajarshi

       CCInterface2Stub.ReadImage ri = new CCInterface2Stub.ReadImage();
        ri.setCData(connectionData);
        ri.setCompress(true);
        ri.setFormatType(1);
        ri.setImageId(14882);

        CCInterface2Stub.ReadImageResponse value = stub.readImage(ri);
        assertNotNull(value);

        long size = value.getSize();

rajarshi

var data = new google.visualization.DataTable();
data.addColumn(’string’, ‘Solvent’);
data.addColumn(’number’, ‘Conc (M)’);
data.addRows(5);
data.setValue(0, 0, ‘thf’);
data.setValue(0, 1, 1.23);
data.setValue(1, 0, ‘acetonitrile’);
data.setValue(1, 1, 2.34);

rajarshi

 @Test
    public void testBug2784343() throws InvalidSmilesException {
        SmilesParser sp = new SmilesParser(DefaultChemObjectBuilder.getInstance());
        String smiles = "C1(C)=C(C)CC(C)C2CC21";
        IMolecule mol1 = sp.parseSmiles(smiles);
        SmilesGenerator smilesGenerator = new SmilesGenerator();
        smilesGenerator.setUseAromaticityFlag(true);
        String gensmiles1 = smilesGenerator.createSMILES(mol1);

        smiles = "CC1(C)C2C(C)=CCC1C2(C)C";