B ž3RcÀ ã@srdZddlZddlZGdd„dƒZddejfdd„ZedkrnddlZejd Z ee ƒ\Z Z e d e ƒe d e ƒdS) z" Generic file manipulation stuff éNc@s2eZdZdZdd„Zdd„Zdd„Zdd d „Zd S)ÚReFilezÛconvenience 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 cCs@d}x6|dkr:|j ¡}|dkr$dS|j |¡d ¡}qW|S)z> read the next line and return it. return '' on EOF Úr)ÚinFileÚreadlineÚregExpÚsplitÚstrip)ÚselfÚresultZinLine©r ú-lib/python3.7/site-packages/rdkit/ML/files.pyrs  zReFile.readlinecCsFg}|j ¡}x2|D]*}|j |¡d ¡}|dkr| |¡qW|S)zW return a list of all the lines left in the file return [] if there are none rr)rÚ readlinesrrrÚappend)r ZresZinLinesÚliner r r r r #s  zReFile.readlinescCs|j d¡dS)z0 rewinds the file (seeks to the beginning) rN)rÚseek)r r r r Úrewind2sz ReFile.rewindÚrú#ú\ncCs8|dk r|dkr|d|}t |¡|_t||ƒ|_dS)Nrú|)ÚreÚcompilerÚopenr)r ÚfileNameÚmodeÚcommentZtrailerr r r Ú__init__8s  zReFile.__init__N)rrr)Ú__name__Ú __module__Ú __qualname__Ú__doc__rr rrr r r r r s rrc Cs¸t|ƒ}| ¡}t|ƒ}|tjtjtjgkr2t}nt}t|d ¡ƒd}t  ||f|¡} t  ||¡} xHt |ƒD]<} ||  ¡} || |ƒ| | <| |=t || ƒ| | dd…f<qpW| | fS)a± read in the data file and return a tuple of two Numeric arrays: (independent variables, dependant variables). **ARGUMENTS:** - fileName: the fileName - comment: the comment character for the file - depVarcol: the column number containing the dependant variable - dataType: the Numeric short-hand for the data type RETURNS: a tuple of two Numeric arrays: (independent variables, dependant variables). réN) rr ÚlenÚnumpyÚfloatZfloat32Zfloat64ÚintrZzerosÚrangeÚmap) rrZ depVarColZdataTyperZ dataLinesZnPtsZ _convfuncZnIndVarsZ indVarMatZ depVarVectÚiZ splitLiner r r Ú ReadDataFile?s  r)Ú__main__r!ziV:zdV:) r rr#rr$r)rÚsysÚargvZfileNZiVZdVÚprintr r r r Ús3*