From 7f5175d96d3b44a3d9a0c6a2012774879f5eca36 Mon Sep 17 00:00:00 2001
From: Matt Smith <msmith21794@gmail.com>
Date: Fri, 22 Aug 2025 15:36:46 -0400
Subject: [PATCH 1/3] duplicate conc values can occur via cmaxes, which causes
 error in predict_with_exposure_plot. adding failing test showing conc column
 is not unique.

---
 .../test-compute_exposure_predictions.R       | 39 +++++++++++++++++++
 1 file changed, 39 insertions(+)

diff --git a/tests/testthat/test-compute_exposure_predictions.R b/tests/testthat/test-compute_exposure_predictions.R
index a407742..eeff853 100644
--- a/tests/testthat/test-compute_exposure_predictions.R
+++ b/tests/testthat/test-compute_exposure_predictions.R
@@ -32,3 +32,42 @@ test_that('compute_exposure_predictions runs fine for good model and full data',
     )
   )
 })
+
+
+test_that('compute_exposure_predictions does not add non-unique conc values with cmaxes', {
+  data_proc <- preprocess(cqtkit_data_dofetilide)
+  mod <- fit_prespecified_model(
+    data_proc,
+    deltaQTCF,
+    ID,
+    CONC,
+    deltaQTCFBL,
+    TRTG,
+    TAFD,
+    method = "ML",
+    remove_conc_iiv = FALSE
+  )
+
+  expo_pred <- compute_exposure_predictions(
+    data_proc,
+    mod,
+    CONC,
+    treatment_predictors = list(
+      CONC = 10,
+      deltaQTCFBL = 0,
+      TRTG = "Dofetilide",
+      TAFD = "1 HR"
+    ),
+    control_predictors = list(
+      CONC = 0,
+      deltaQTCFBL = 0,
+      TRTG = "Placebo",
+      TAFD = "1 HR"
+    ),
+    cmaxes = c(100, 200, 300)
+  )
+
+  expect_true(
+    expo_pred$conc |> length() == expo_pred$conc |> unique() |> length()
+  )
+})

From 2ee537ea06ba255fcf324d6e3573edb8c52b5258 Mon Sep 17 00:00:00 2001
From: Matt Smith <msmith21794@gmail.com>
Date: Fri, 22 Aug 2025 15:43:21 -0400
Subject: [PATCH 2/3] remove IIV for test

---
 tests/testthat/test-compute_exposure_predictions.R | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/tests/testthat/test-compute_exposure_predictions.R b/tests/testthat/test-compute_exposure_predictions.R
index eeff853..04d86a9 100644
--- a/tests/testthat/test-compute_exposure_predictions.R
+++ b/tests/testthat/test-compute_exposure_predictions.R
@@ -45,7 +45,7 @@ test_that('compute_exposure_predictions does not add non-unique conc values with
     TRTG,
     TAFD,
     method = "ML",
-    remove_conc_iiv = FALSE
+    remove_conc_iiv = TRUE
   )
 
   expo_pred <- compute_exposure_predictions(

From b04ebe0362f2739772606894b3f8faa312a7eba9 Mon Sep 17 00:00:00 2001
From: Matt Smith <msmith21794@gmail.com>
Date: Fri, 22 Aug 2025 15:49:12 -0400
Subject: [PATCH 3/3] added unique call for updating conc with cmaxes values.

---
 R/compute.R | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/R/compute.R b/R/compute.R
index 241fe1c..70074fe 100644
--- a/R/compute.R
+++ b/R/compute.R
@@ -1385,7 +1385,7 @@ compute_exposure_predictions <- function(
 
   if (!rlang::is_empty(cmaxes)) {
     new_conc <- c(prediction_df$conc, cmaxes)
-    prediction_df <- tibble::tibble(conc = sort(new_conc))
+    prediction_df <- tibble::tibble(conc = sort(unique(new_conc)))
   }
 
   ########## SHOULD THIS BE ITS OWN FUNCTION? ############