Generating 2D Ring Dictionary Report

A program that generate a multi-page PDF report of the 2D ring dictionary.

Command Line Interface

A description of the command line interface can be obtained by executing the program with the –help argument.

prompt> python ringdict2pdf.py --help

Will generate the following output:

Simple parameter list
    input/output options :
      -out : Output filename
      -ringdict : Input ring dictionary filename

    report options :
      -colsperpage : Number of columns per page
      -pageheight : Page height
      -pageorientation : Page orientation
      -pagesize : Page size
      -pagewidth : Page width
      -rowsperpage : Number of rows per page

Code

Download code

ringdict2pdf.py

See also

• 2D coordinate generation examples section in the OEChem TK manual

• OE2DRingDictionary class

• OEIsValid2DRingDictionary function

• OEWrite2DRingDictionaryReport function

Example

prompt> python ringdict2pdf.py -ringdict rtd.oeb -out rtd.pdf

will generate a multi-page PDF report similar to the one shown in Table: Example of ring dictionary report.

Example of ring dictionary report (The pages are reduced here for visualization convenience)

cover page	page 1	page 2

See also

• OE2DRingDictionary class in the OEChem TK manual

• 2D coordinate generation examples section in the OEChem TK manual that shows examples about how to create and manipulate user-defined ring dictionaries.