Mercurial > repos > marpiech > norwich_tools_docking
view tools/rdock/data/pmf/smoothed/m2pmf.awk @ 3:b02d74d22d05 draft default tip
planemo upload
author | marpiech |
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date | Mon, 29 Aug 2016 08:23:52 -0400 |
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#!/bin/awk -f BEGIN{ true = 1; false = !true; hashmarkcount = 0; iscomment = true; # true for the first lines i=0; j=0; }{ if("#" == $1) { hashmarkcount++; iscomment = true; } else iscomment = false; if(hashmarkcount < 6 && !iscomment ){ #get the first vector (x) x[i]=$1; i++; } else if ( !iscomment ){ # so we are at y y[j]=$1; j++; } }END{ # first padding at the beginning for (j=0.2;j<x[0];j+=0.2) { printf("%6.3f %6.4f\n", j,3.0); } # note i sould be equal to y # we are considering 'i' number of data ( # ys without x values will be discarded, xs without y will # get y value 0 # we are treating 'i' as the length of the vectors for (j=0;j<i;j++) { printf("%6.3f %6.4f\n", x[j],y[j]); } # zero padding at the end for(j=x[j-1]+0.2;j<=12.0;j+=0.2) { printf("%6.3f %6.4f\n", j,0.0); } }