/*
Sketch Elements: Chemistry molecular diagram drawing tool.
(c) 2008 Dr. Alex M. Clark
Released as GNUware, under the Gnu Public License (GPL)
See www.gnu.org for details.
*/
package WIMSchem.ds;
import WIMSchem.*;
import java.io.*;
import java.util.*;
/*
DataSheet is a container class for storing a row/column format collection of molecular data. This implementation stores the
entirety of the collection in memory, and is not intended to be used for large datasets. Its file format is expected to be
an XML format, or imported/exported from various others, such as SD files.
*/
public class DataSheet
{
public static final int COLTYPE_MOLECULE=1;
public static final int COLTYPE_STRING=2;
public static final int COLTYPE_INTEGER=3;
public static final int COLTYPE_REAL=4;
public static final int COLTYPE_BOOLEAN=5;
private String title=
"",descr=
"";
class Column
{
}
private boolean isDirty=false;
public DataSheet()
{
}
public int numCols() {return cols.size();}
public int numRows() {return rows.size();}
{
return Type==DataSheet.
COLTYPE_MOLECULE ? "molecule" :
Type==DataSheet.
COLTYPE_STRING ? "string" :
Type==DataSheet.
COLTYPE_REAL ? "real" :
Type==DataSheet.
COLTYPE_INTEGER ? "integer" :
Type==DataSheet.
COLTYPE_BOOLEAN ? "boolean" :
"?"; }
public boolean isDirty() {return isDirty;}
public void setDirty() {isDirty=true;}
public void clearDirty() {isDirty=false;}
// summary info, for the database overall
public String getTitle
() {return title
;} public String getDescription
() {return descr
;} public void setTitle
(String title
) {this.
title=title.
trim();} // (whitespace removed) public void setDescription
(String descr
) {this.
descr=descr
;} // (whitespace allowed)
// reading column info
public String colName
(int N
) {return cols.
get(N
).
Name;} public int colType
(int N
) {return cols.
get(N
).
Type;} public String colDescr
(int N
) {return cols.
get(N
).
Descr;}
// returns whether a cell is null; should always be checked for primitive types
public boolean isNull(int RN,int CN) {return (rows.get(RN))[CN]==null;}
// fetching row data; note that the correct type must be use, else exception
public Molecule getMolecule(int RN,int CN) {return (Molecule)(rows.get(RN))[CN];}
public String getString
(int RN,
int CN
) {return (String)(rows.
get(RN
))[CN
];} public int getInteger
(int RN,
int CN
) {return ((Integer)(rows.
get(RN
))[CN
]).
intValue();} public double getReal
(int RN,
int CN
) {return ((Double)(rows.
get(RN
))[CN
]).
doubleValue();} public boolean getBoolean
(int RN,
int CN
) {return ((Boolean)(rows.
get(RN
))[CN
]).
booleanValue();}
// gets the untyped object for a cell; use with care
public Object getObject
(int RN,
int CN
) {return (rows.
get(RN
))[CN
];}
// sets a cell to null, which is valid for all types
public void setToNull(int RN,int CN) {(rows.get(RN))[CN]=null;}
// setting row data; fails silently if the type is wrong
public void setMolecule(int RN,int CN,Molecule V) {if (colType(CN)==COLTYPE_MOLECULE) (rows.get(RN))[CN]=V==null ? V : V.clone();}
public void setString
(int RN,
int CN,
String V
) {if (colType
(CN
)==COLTYPE_STRING
) (rows.
get(RN
))[CN
]=V
;} public void setInteger
(int RN,
int CN,
int V
) {if (colType
(CN
)==COLTYPE_INTEGER
) (rows.
get(RN
))[CN
]=
new Integer(V
);} public void setReal
(int RN,
int CN,
double V
) {if (colType
(CN
)==COLTYPE_REAL
) (rows.
get(RN
))[CN
]=
new Double(V
);} public void setBoolean
(int RN,
int CN,
boolean V
) {if (colType
(CN
)==COLTYPE_BOOLEAN
) (rows.
get(RN
))[CN
]=
new Boolean(V
);}
// sets the object for a cell, without any type checking; use with care
public void setObject
(int RN,
int CN,
Object V
) {(rows.
get(RN
))[CN
]=V
;}
// each return true if the current data is equal to that being compared to
public boolean isEqualMolecule(int RN,int CN,Molecule V)
{
Molecule v=(Molecule)(rows.get(RN))[CN];
if (v==null && V==null) return true;
if (v==null || V==null) return false;
return v.compareTo(V)==0;
}
public boolean isEqualString
(int RN,
int CN,
String V
) {
if (v==null && V==null) return true;
if (v==null || V==null) return false;
return v.equals(V);
}
public boolean isEqualInteger(int RN,int CN,int V)
{
if (v==null) return false;
return v.intValue()==V;
}
public boolean isEqualReal(int RN,int CN,double V)
{
if (v==null) return false;
return v.doubleValue()==V;
}
public boolean isEqualBoolean(int RN,int CN,boolean V)
{
if (v==null) return false;
return v.booleanValue()==V;
}
// appends a new column to the end of the list, and updates the underlying data accordingly
{
Column c=new Column();
c.Descr=Descr;
cols.add(c);
for (int n=0;n<rows.size();n++)
{
for (int i=0;i<d1.length;i++) d2[i]=d1[i];
d2[d1.length]=null;
rows.set(n,d2);
}
return cols.size()-1;
}
// appends a row containing all-nulls to the end of the list, and returns the new index position
public int appendRow()
{
rows.
add(new Object[cols.
size()]); return rows.size()-1;
}
public void deleteRow(int RN) {rows.remove(RN);}
// removes a column, and adjusts all the data accordingly
public void deleteColumn(int CN)
{
cols.remove(CN);
for (int n=0;n<rows.size();n++)
{
for (int i=0,j=0;i<prev.length;i++) if (i!=CN) cur[j++]=prev[i];
rows.set(n,cur);
}
}
// modifies name and/or description (null=do nothing)
{
Column c=cols.get(CN);
if (Descr!=null) c.Descr=Descr;
}
// dynamically modifies the column type, correcting the existing data and reformulating; returns true if the conversion was
// successful (for example, can't switch between molecule & other); if Force is set, then incompatible conversions will result
// in null, otherwise the operation will fail
public boolean changeColumnType(int CN,int NewType,boolean Force)
{
if (CN<0 || CN>=numCols()) return false;
if (colType(CN)==NewType) return true;
boolean incompatible=colType(CN)==COLTYPE_MOLECULE || NewType==COLTYPE_MOLECULE;
if (incompatible && !Force) return false;
Column col=cols.get(CN);
for (int n=0,nrows=rows.size();n<nrows;n++)
{
if (row[CN]==null) continue;
if (incompatible) {row[CN]=null; continue;}
if (prevType==COLTYPE_STRING
) val=
(String)row
[CN
]; else if (prevType==COLTYPE_INTEGER
) val=
String.
valueOf(((Integer)row
[CN
]).
intValue()); else if (prevType==COLTYPE_REAL
) val=
String.
valueOf(((Double)row
[CN
]).
intValue()); else if (prevType==COLTYPE_BOOLEAN
) val=
((Boolean)row
[CN
]).
booleanValue() ? "true" :
"false";
row[CN]=null;
try
{
if (NewType==COLTYPE_STRING) row[CN]=val;
else if (NewType==COLTYPE_INTEGER
) row
[CN
]=
new Integer(val
); else if (NewType==COLTYPE_REAL
) row
[CN
]=
new Double(val
); else if (NewType==COLTYPE_BOOLEAN
) row
[CN
]=val.
toLowerCase().
compareTo("true")==
0 ? Boolean.
TRUE :
Boolean.
FALSE; }
}
return true;
}
// reorders the columns; each value of Order[n] defines the index into the original list which this should now be
public void reorderColumns(int[] Order)
{
boolean identity=true;
for (int n=0;n<Order.length-1;n++) if (Order[n]!=Order[n+1]+1) {identity=false; break;}
if (identity) return; // nothing to do
for (int n=0;n<cols.size();n++) newcols.add(cols.get(Order[n]));
cols=newcols;
for (int n=0;n<rows.size();n++)
{
for (int i=0;i<row.length;i++) newrow[i]=row[Order[i]];
rows.set(n,newrow);
}
}
// shuffles a single row upward
public void moveRowUp(int RN)
{
if (RN==0 || RN>=rows.size()) return;
rows.set(RN-1,rows.get(RN));
rows.set(RN,o);
}
// shuffles a single row upward
public void moveRowDown(int RN)
{
if (RN<0 || RN>=rows.size()-1) return;
rows.set(RN+1,rows.get(RN));
rows.set(RN,o);
}
}