rdkit.ML.files module — The RDKit 2016.09.1 documentation

# rdkit.ML.files module

Generic file manipulation stuff

class `rdkit.ML.files.` `ReFile`(fileName, mode='r', comment='#', trailer='\n')

  Bases: `object`

  convenience class for dealing with files with comments

  blank (all whitespace) lines, and lines beginning with comment
    characters are skipped.

  anything following a comment character on a line is stripped off

  `readline`()

    read the next line and return it.

    return ‘’ on EOF

  `readlines`()

    return a list of all the lines left in the file

    return [] if there are none

  `rewind`()

    rewinds the file (seeks to the beginning)

`rdkit.ML.files.` `ReadDataFile`(fileName, comment='#', depVarCol=0, dataType=<class 'float'>)

  read in the data file and return a tuple of two Numeric arrays: (independant variables, dependant variables).

  ARGUMENTS:

  - fileName: the fileName
  - comment: the comment character for the file
  - depVarcol: the column number containing the dependant variable
  - dataType: the Numeric short-hand for the data type

  RETURNS:

  > a tuple of two Numeric arrays:

  > > (independant variables, dependant variables).