Update methionine input with fixed values

biosustain · Oct 16, 2023 · c7e9a92 · c7e9a92
1 parent aa95bcc
commit c7e9a92
Show file tree

Hide file tree

Showing 2 changed files with 18 additions and 2 deletions.
diff --git a/docs/inputting.md b/docs/inputting.md
@@ -483,5 +483,6 @@ a separate table, like this:
 ids = ["M1", "M2", "M3"]
 mean_vector = [1, 2, 3]
 covariance_matrix = [[1, 2, 3], [1, 2, 1], [3, 2, 1]]
-fixed_values = {"M1" = -1}
+[dgf.fixed_values]
+M1 = -1
 ```
diff --git a/maud/data/example_inputs/methionine/priors.toml b/maud/data/example_inputs/methionine/priors.toml
@@ -412,7 +412,6 @@ ids = [
   "ser-L",
   "thf",
 ]
-
 mean_vector = [
   221.0286719,
   375.7661689,
@@ -455,3 +454,19 @@ covariance_matrix = [
  [0.082812953,0.267260869,0.00569163,0.0,-0.169982816,0.0,0.0,0.75055995,0.0,-0.00569163,0.13699083,0.082812953,-0.102063789,-0.086507088,0.066108523,-0.121107184,0.0,1.302666887,-0.01337413],
  [457879.2948,0.002198031,2.645143404,38.09225442,-0.10108062,0.610913519,31.36896392,0.413306346,62.75997749,2.977321173,0.772821844,457881.5372,20.34229995,20.6177254,0.266424499,0.196235377,1.004228134,-0.01337413,457882.6649],
 ]
+[dgf.fixed_values]
+5mthf = 221.0286719
+adn = 375.7661689
+atp = -2263.627453
+cyst-L = -46.63513539
+dmgly = 58.06358491
+glyb = 160.8518051
+hcys-L = 49.52084426
+met-L = 161.020387
+mlthf = 195.3212701
+nadp = -2016.505249
+nadph = -1950.323894
+pi = -1055.471107
+ppi = -1943.542247
+ser-L = -216.3988763
+thf = 106.298236