From 9857203b8030fc237eec8d454eec33d882b261e7 Mon Sep 17 00:00:00 2001
From: Philipp Rehner <prehner@ethz.ch>
Date: Tue, 10 Dec 2024 14:56:35 +0100
Subject: [PATCH] add error message, if ideal gas properties are calculated for
 homosegmented chains

---
 feos-dft/src/adsorption/pore.rs | 3 +++
 1 file changed, 3 insertions(+)

diff --git a/feos-dft/src/adsorption/pore.rs b/feos-dft/src/adsorption/pore.rs
index 126949380..90eb1c3bd 100644
--- a/feos-dft/src/adsorption/pore.rs
+++ b/feos-dft/src/adsorption/pore.rs
@@ -156,6 +156,9 @@ where
         &self,
         temperature: N,
     ) -> Array1<N> {
+        if self.profile.dft.m().iter().any(|&m| m != 1.0) {
+            panic!("Henry coefficients can only be calculated for spherical and heterosegmented molecules!")
+        };
         let pot = self.profile.external_potential.mapv(N::from)
             * self.profile.temperature.to_reduced()
             / temperature;