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JavaGenes, NASA Ames. Written largely by Al Globus | |||||||||
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java.lang.Objectgov.nasa.javaGenes.chemistry.xyzFormat
read and write mol files representing molecules
Constructor Summary | |
xyzFormat()
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Method Summary | |
static void |
appendToFile(Molecule molecule,
java.lang.String filename)
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static Molecule |
read(java.io.BufferedReader input)
read an xyz file |
static Molecule |
read(java.lang.String filename)
read an xyz file |
protected static java.lang.String |
readLine(java.io.BufferedReader input)
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static Molecules |
readMolecules(java.lang.String filename)
read many molecules from a xyz file |
static void |
write(Molecule molecule,
java.io.PrintWriter out)
write the file to PrintWriter out |
static void |
writeMolecules(ExtendedVector molecules,
java.lang.String filename)
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static void |
writeToFile(Molecule molecule,
java.lang.String filename)
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Methods inherited from class java.lang.Object |
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait |
Constructor Detail |
public xyzFormat()
Method Detail |
public static void appendToFile(Molecule molecule, java.lang.String filename)
public static void writeToFile(Molecule molecule, java.lang.String filename)
public static void writeMolecules(ExtendedVector molecules, java.lang.String filename)
public static void write(Molecule molecule, java.io.PrintWriter out)
public static Molecule read(java.lang.String filename)
filename
- the file to read
public static Molecules readMolecules(java.lang.String filename)
public static Molecule read(java.io.BufferedReader input) throws java.io.IOException, java.io.EOFException
java.io.IOException
java.io.EOFException
protected static java.lang.String readLine(java.io.BufferedReader input) throws java.io.IOException, java.io.EOFException
java.io.IOException
java.io.EOFException
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JavaGenes, NASA Ames. Written largely by Al Globus | |||||||||
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