Commit 17b3179
committed
WIP add flag to binding models to switch between pH and proton concentration
Add the ###_USE_PROTON_CONCENTRATION flag, which if True sets component 1 to proton concentration and if False sets component 1 to pH (= -log10(proton concentration)).
For the colloidal binding, which can be used with or without pH effects entirely:
Rename the COL_USE_PH flag to COL_INCLUDE_PH, which if True treats component 1 as either pH or proton concentration and if False treats component 1 as a regular component.1 parent b2d9d63 commit 17b3179
File tree
2 files changed
+10
-4
lines changed- src/libcadet/model/binding
2 files changed
+10
-4
lines changed| Original file line number | Diff line number | Diff line change | |
|---|---|---|---|
| |||
51 | 51 | | |
52 | 52 | | |
53 | 53 | | |
54 | | - | |
| 54 | + | |
| 55 | + | |
55 | 56 | | |
56 | 57 | | |
57 | 58 | | |
| |||
63 | 64 | | |
64 | 65 | | |
65 | 66 | | |
| 67 | + | |
| 68 | + | |
66 | 69 | | |
67 | 70 | | |
68 | 71 | | |
| |||
180 | 183 | | |
181 | 184 | | |
182 | 185 | | |
183 | | - | |
| 186 | + | |
184 | 187 | | |
185 | 188 | | |
186 | | - | |
| 189 | + | |
187 | 190 | | |
188 | 191 | | |
189 | 192 | | |
| |||
Lines changed: 4 additions & 1 deletion
| Original file line number | Diff line number | Diff line change | |
|---|---|---|---|
| |||
50 | 50 | | |
51 | 51 | | |
52 | 52 | | |
53 | | - | |
| 53 | + | |
| 54 | + | |
54 | 55 | | |
55 | 56 | | |
56 | 57 | | |
| |||
66 | 67 | | |
67 | 68 | | |
68 | 69 | | |
| 70 | + | |
| 71 | + | |
69 | 72 | | |
70 | 73 | | |
71 | 74 | | |
| |||
0 commit comments