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git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6501 1feff8c3-07ed-0310-ac33-dd36852eb9cd
45 lines
1.6 KiB
QBasic
45 lines
1.6 KiB
QBasic
10 base_species$ = "Fe(OH)3"
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20 base_species_charge$ = ""
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30 base_ligand$ = "OH-"
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40 prefix$ = "Fe"
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50 ligand_charge$ = "-"
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60 n1 = 6
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70 dim ligand$(n1)
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80 data "OH","OD","OT","[18O]H","[18O]D","[18O]D"
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90 restore 80
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100 for i = 1 to n1
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110 read ligand$(i)
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120 next i
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200 for i = 1 to n1
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210 for j = i to n1
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220 for k = j to n1
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230 if (i = j) and (j = k) then gosub 1000
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240 if (i = j) and not (j = k) then gosub 2000
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250 if not (i = j) and (j = k) then gosub 3000
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260 if not (i = j) and not (j = k) then gosub 3000
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270 next k
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280 next j
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290 next i
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300 end
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1000 REM equation for same
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1010 lhs$ = base_species$ + " + 3" + ligand$(i) + ligand_charge$
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1020 rhs$ = prefix$ + "(" + ligand$(i) + ")3" + base_species_charge$ + " + 3" + base_ligand$
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1030 print lhs$ + " = " + rhs$
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1040 return
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2000 REM equation for different
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2010 lhs$ = base_species$ + " + 2" + ligand$(i) + ligand_charge$ + " + " + ligand$(k) + ligand_charge$
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2020 rhs$ = prefix$ + "(" + ligand$(i) + ")2" + ligand$(k) + base_species_charge$ + " + 3" + base_ligand$
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2030 print lhs$ + " = " + rhs$
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2040 return
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3000 REM equation for different
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3010 lhs$ = base_species$ + " + " + ligand$(i) + ligand_charge$ + " + 2" + ligand$(j) + ligand_charge$
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3020 rhs$ = prefix$ + ligand$(i) + "(" + ligand$(j) + ")2" + base_species_charge$ + " + 3" + base_ligand$
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3030 print lhs$ + " = " + rhs$
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3040 return
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4000 REM equation for different
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4010 lhs$ = base_species$ + " + " + ligand$(i) + ligand_charge$ + " + " + ligand$(j) + ligand_charge$ + ligand$(k) + ligand_charge$
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4020 rhs$ = prefix$ + ligand$(i) + ligand$(j) + ligand$(k) + base_species_charge$ + " + 3" + base_ligand$
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4030 print lhs$ + " = " + rhs$
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4040 return
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