JavaGenes, NASA Ames. Written largely by Al Globus

gov.nasa.javaGenes.chemistry
Class molFormat

java.lang.Object
  extended bygov.nasa.javaGenes.chemistry.molFormat

public class molFormat
extends java.lang.Object

read and write mol files representing molecules


Field Summary
protected static int doubleSize
           
protected static int integerSize
           
protected static int symbolSize
           
 
Constructor Summary
molFormat()
           
 
Method Summary
protected static java.lang.String getChemicalSymbol(java.io.BufferedReader input)
           
protected static double getDouble(java.io.BufferedReader input)
           
protected static int getInteger(java.io.BufferedReader input)
           
protected static java.lang.String getLine(java.io.BufferedReader input)
           
static Molecule read(java.lang.String filename)
          read a mol file
static java.lang.String toString(Graph molecule)
           
static void write(Molecule molecule, java.io.PrintWriter out)
          write the file to PrintWriter out
static void writeFile(Molecule molecule, java.lang.String filename)
           
 
Methods inherited from class java.lang.Object
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait
 

Field Detail

integerSize

protected static final int integerSize
See Also:
Constant Field Values

symbolSize

protected static final int symbolSize
See Also:
Constant Field Values

doubleSize

protected static final int doubleSize
See Also:
Constant Field Values
Constructor Detail

molFormat

public molFormat()
Method Detail

writeFile

public static void writeFile(Molecule molecule,
                             java.lang.String filename)

write

public static void write(Molecule molecule,
                         java.io.PrintWriter out)
write the file to PrintWriter out


toString

public static java.lang.String toString(Graph molecule)

read

public static Molecule read(java.lang.String filename)
read a mol file

Parameters:
filename - the file to read
Returns:
the molecule in filename

getLine

protected static java.lang.String getLine(java.io.BufferedReader input)
                                   throws java.io.IOException
Throws:
java.io.IOException

getChemicalSymbol

protected static java.lang.String getChemicalSymbol(java.io.BufferedReader input)
                                             throws java.io.IOException
Throws:
java.io.IOException

getInteger

protected static int getInteger(java.io.BufferedReader input)
                         throws java.io.IOException
Throws:
java.io.IOException

getDouble

protected static double getDouble(java.io.BufferedReader input)
                           throws java.io.IOException
Throws:
java.io.IOException

JavaGenes, NASA Ames. Written largely by Al Globus