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f2026ac2d3
git-subtree-dir: database git-subtree-mainline: 8daede105d635d73696050a98cc157fdd470a5ae git-subtree-split: 488636aea287b5f185979012d820ac17f1dd3492
136 lines
4.3 KiB
QBasic
136 lines
4.3 KiB
QBasic
10 base_species$ = "Fe(OH)4-"
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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$(n1)
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80 data "OH","OD","OT","[18O]H","[18O]D","[18O]T"
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90 restore 80
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100 for i = 1 to n1
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110 read ligand$(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 for l = k to n1
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240 if (i = j) and (j = k) and (k = l) then gosub 1000
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250 if (i = j) and (j = k) and not (k = l) then gosub 2000
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260 if (i = j) and not (j = k) and (k = l) then gosub 3000
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270 if (i = j) and not (j = k) and not (k = l) then gosub 4000
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280 if not (i = j) and (j = k) and (k = l) then gosub 5000
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290 if not (i = j) and (j = k) and not (k = l) then gosub 6000
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300 if not (i = j) and not (j = k) and (k = l) then gosub 7000
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310 if not (i = j) and not (j = k) and not (k = l) then gosub 8000
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320 next l
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330 next k
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340 next j
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350 next i
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360 end
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1000 REM equation for different
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1010 lhs$ = base_species$
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1020 lhs$ = lhs$ + " + 4" + ligand$(i) + ligand_charge$
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1060 rhs$ = prefix$
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1070 rhs$ = rhs$ + "(" + ligand$(i) + ")4"
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1110 rhs$ = rhs$ + base_species_charge$
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1120 rhs$ = rhs$ + " + 4" + base_ligand$
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1130 print lhs$ + " = " + rhs$
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1140 return
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2000 REM equation for different
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2010 lhs$ = base_species$
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2020 lhs$ = lhs$ + " + 3" + ligand$(i) + ligand_charge$
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2040 lhs$ = lhs$ + " + " + ligand$(l) + ligand_charge$
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2060 rhs$ = prefix$
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2070 rhs$ = rhs$ + "(" + ligand$(i) + ")3"
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2090 rhs$ = rhs$ + ligand$(l)
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2110 rhs$ = rhs$ + base_species_charge$
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2120 rhs$ = rhs$ + " + 4" + base_ligand$
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2130 print lhs$ + " = " + rhs$
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2140 return
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3000 REM equation for different
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3010 lhs$ = base_species$
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3020 lhs$ = lhs$ + " + 2" + ligand$(i) + ligand_charge$
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3040 lhs$ = lhs$ + " + 2" + ligand$(k) + ligand_charge$
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3060 rhs$ = prefix$
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3070 rhs$ = rhs$ + "(" + ligand$(i) + ")2"
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3090 rhs$ = rhs$ + "(" + ligand$(k) + ")2"
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3110 rhs$ = rhs$ + base_species_charge$
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3120 rhs$ = rhs$ + " + 4" + base_ligand$
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3130 print lhs$ + " = " + rhs$
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3140 return
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4000 REM equation for different
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4010 lhs$ = base_species$
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4020 lhs$ = lhs$ + " + 2" + ligand$(i) + ligand_charge$
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4040 lhs$ = lhs$ + " + " + ligand$(k) + ligand_charge$
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4050 lhs$ = lhs$ + " + " + ligand$(l) + ligand_charge$
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4060 rhs$ = prefix$
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4070 rhs$ = rhs$ + "(" + ligand$(i) + ")2"
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4090 rhs$ = rhs$ + ligand$(k)
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4100 rhs$ = rhs$ + ligand$(l)
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4110 rhs$ = rhs$ + base_species_charge$
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4120 rhs$ = rhs$ + " + 4" + base_ligand$
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4130 print lhs$ + " = " + rhs$
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4140 return
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5000 REM equation for different
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5010 lhs$ = base_species$
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5020 lhs$ = lhs$ + " + " + ligand$(i) + ligand_charge$
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5030 lhs$ = lhs$ + " + 3" + ligand$(j) + ligand_charge$
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5060 rhs$ = prefix$
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5070 rhs$ = rhs$ + ligand$(i)
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5080 rhs$ = rhs$ + "(" + ligand$(j) + ")3"
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5110 rhs$ = rhs$ + base_species_charge$
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5120 rhs$ = rhs$ + " + 4" + base_ligand$
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5130 print lhs$ + " = " + rhs$
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5140 return
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6000 REM equation for different
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6010 lhs$ = base_species$
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6020 lhs$ = lhs$ + " + " + ligand$(i) + ligand_charge$
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6030 lhs$ = lhs$ + " + 2" + ligand$(j) + ligand_charge$
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6050 lhs$ = lhs$ + " + " + ligand$(l) + ligand_charge$
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6060 rhs$ = prefix$
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6070 rhs$ = rhs$ + ligand$(i)
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6080 rhs$ = rhs$ + "(" + ligand$(j) + ")2"
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6100 rhs$ = rhs$ + ligand$(l)
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6110 rhs$ = rhs$ + base_species_charge$
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6120 rhs$ = rhs$ + " + 4" + base_ligand$
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6130 print lhs$ + " = " + rhs$
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6140 return
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7000 REM equation for different
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7010 lhs$ = base_species$
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7020 lhs$ = lhs$ + " + " + ligand$(i) + ligand_charge$
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7030 lhs$ = lhs$ + " + " + ligand$(j) + ligand_charge$
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7040 lhs$ = lhs$ + " + 2" + ligand$(k) + ligand_charge$
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7060 rhs$ = prefix$
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7070 rhs$ = rhs$ + ligand$(i)
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7080 rhs$ = rhs$ + ligand$(j)
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7100 rhs$ = rhs$ + "(" + ligand$(k) + ")2"
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7110 rhs$ = rhs$ + base_species_charge$
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7120 rhs$ = rhs$ + " + 4" + base_ligand$
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7130 print lhs$ + " = " + rhs$
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7140 return
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8000 REM equation for different
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8010 lhs$ = base_species$
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8020 lhs$ = lhs$ + " + " + ligand$(i) + ligand_charge$
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8030 lhs$ = lhs$ + " + " + ligand$(j) + ligand_charge$
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8040 lhs$ = lhs$ + " + " + ligand$(k) + ligand_charge$
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8050 lhs$ = lhs$ + " + " + ligand$(l) + ligand_charge$
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8060 rhs$ = prefix$
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8070 rhs$ = rhs$ + ligand$(i)
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8080 rhs$ = rhs$ + ligand$(j)
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8090 rhs$ = rhs$ + ligand$(k)
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8100 rhs$ = rhs$ + ligand$(l)
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8110 rhs$ = rhs$ + base_species_charge$
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8120 rhs$ = rhs$ + " + 4" + base_ligand$
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8130 print lhs$ + " = " + rhs$
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8140 return
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