23 lines
813 B
Bash
Executable File
23 lines
813 B
Bash
Executable File
#!/bin/bash
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echo "Testing default PAO generation"
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declare -i success=0
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declare -i failure=0
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declare -i total=0
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for ele in Ag As Ba Br Cd Cr F Ge Hf In Kr Lu Mo Nb O Pb Pt Rh S Se Sr Te V Y Al Au Be C Cl Cs Fe H Hg Ir La Mg N Ne Os Pd Rb Rn Sb Si Ta Ti W Zn Ar B Bi Ca Co Cu Ga He I K Li Mn Na Ni P Po Re Ru Sc Sn Tc Tl Xe Zr
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do
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let total++
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cd $ele
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../../../bin/MakeIonFiles > output 2>&1
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if [ `tail -1 output | grep -c Finish` -eq 1 ]; then
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let success++
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rm output "$ele"CQ.ion input.log
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else
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let failure++
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echo "Possible failure in default PAO generation for "$ele". Please report to developers."
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rm input.log
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fi
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cd ..
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done
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echo "Successes: "$success"/"$total
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echo "Failures: "$failure"/"$total
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