How to manipulate a text file and store each version for every changes in a directory?


 
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# 1  
Old 05-13-2019
How to manipulate a text file and store each version for every changes in a directory?

I attached both pictureImage and *.txt file of a sample work file. In this file Reactions which only start with "r1f", "r2f", "r3f"......and so on. And for each reaction the reaction rates is situated couple of lines later with a "+" sign.

For each reaction rate there are three numbers. I want to change the first And 3rd numbers in reaction rates with +/-75%. For each changes in the file I want to store them in a directory. How can I do it?



Here is a piece of code that i am working with




Code:
#!/bin/bash 

           #usage thisScript inputfile multiplier
inFile=$1 

multiplier=$2 

outFile=$inFile.$multiplier
 
grep -Po "^(r[0-9]*f[^ ]*|\+[^\!]*)" Prob01.txt | paste - - > stepOne 

function domath {     

                  local theanswer=$(echo $1 $multiplier | awk '{printf "%7.6E\n" , $1*$2}' | sed -E -e 's/[Ee]\+*/E/g' -e 's/^([^-])/+\1/g')    

                echo $theanswer 

                        }  

lines=$(cat stepOne | wc -l) 

for ((i=1;i<=$lines;i++)) do 

    suffix=$(printf "%02d" $i)     

line=1     

while read c1 c2 c3 c4; do         

case $line in              

                 $i)     lineOut=$(echo -e "$c1 \t $(domath $c2) $c3 $(domath $c4)")                

                             ;; 

                *)       lineOut=$(echo -e "$c1 \t $c2 $c3 $c4")                 

                          ;;        

               esac         

               echo $lineOut >> $outFile.$suffix         

               line=$((line+1))     

              done < $inFile 

done


Last edited by Atta; 05-13-2019 at 09:10 AM..
# 2  
Old 05-13-2019
Welcome to the forum.


I'm not sure I fully understand what you're after; some sample output file might help. But - why that complicated? You're using awk anyhow, so why not


Code:
$ awk -vMUL=$multiplier '/r[0-9]*f/ {RF = $1} /^\+/ {printf "%s\t%+7.6E\t%s\t%+7.6E\n", RF, $1*MUL, $2, $3*MUL}'  /tmp/Prob01.txt 
r1f:O2+2PD=>2O-PD	+5.250000E-02	+0.000000E00	+0.000000E+00
r2f:C3H6+2PD=>C3H6-PD	+7.350000E-01	+0.000000E00	+0.000000E+00
r3f:C3H6+O-PD+PD=>C3H5-PD+OH-PD	+2.060489E-01	+0.000000E00	+0.000000E+00
r4f:H2+2PD=>2H-PD	+3.450000E-02	+0.000000E00	+0.000000E+00
r5f:H2O+PD=>H2O-PD	+1.869339E-01	+0.000000E00	+0.000000E+00
r6f:CO2+PD=>CO2-PD	+3.750000E-03	+0.000000E00	+0.000000E+00

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