Mercurial > repos > marpiech > norwich_docking_tools
comparison tools/rdock/data/pmf/smoothed/m2pmf.awk @ 2:0faa03a92843 draft default tip
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| author | dzesikah |
|---|---|
| date | Fri, 26 Aug 2016 10:19:49 -0400 |
| parents | |
| children |
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| 1:ad4bc82457e5 | 2:0faa03a92843 |
|---|---|
| 1 #!/bin/awk -f | |
| 2 BEGIN{ | |
| 3 true = 1; | |
| 4 false = !true; | |
| 5 hashmarkcount = 0; | |
| 6 iscomment = true; # true for the first lines | |
| 7 i=0; | |
| 8 j=0; | |
| 9 }{ | |
| 10 if("#" == $1) { | |
| 11 hashmarkcount++; | |
| 12 iscomment = true; | |
| 13 } else | |
| 14 iscomment = false; | |
| 15 if(hashmarkcount < 6 && !iscomment ){ #get the first vector (x) | |
| 16 x[i]=$1; | |
| 17 i++; | |
| 18 } | |
| 19 else if ( !iscomment ){ # so we are at y | |
| 20 y[j]=$1; | |
| 21 j++; | |
| 22 } | |
| 23 | |
| 24 }END{ | |
| 25 # first padding at the beginning | |
| 26 for (j=0.2;j<x[0];j+=0.2) { | |
| 27 printf("%6.3f %6.4f\n", j,3.0); | |
| 28 } | |
| 29 # note i sould be equal to y | |
| 30 # we are considering 'i' number of data ( | |
| 31 # ys without x values will be discarded, xs without y will | |
| 32 # get y value 0 | |
| 33 # we are treating 'i' as the length of the vectors | |
| 34 for (j=0;j<i;j++) { | |
| 35 printf("%6.3f %6.4f\n", x[j],y[j]); | |
| 36 } | |
| 37 # zero padding at the end | |
| 38 for(j=x[j-1]+0.2;j<=12.0;j+=0.2) { | |
| 39 printf("%6.3f %6.4f\n", j,0.0); | |
| 40 } | |
| 41 } |
