From 507064d45d597ddd7b61c7c791a0bad5cab1e64b Mon Sep 17 00:00:00 2001
From: Richard Berger <richard.berger@temple.edu>
Date: Wed, 27 May 2020 13:13:50 -0400
Subject: [PATCH] Add Tersoff potential file read test

---
 src/MANYBODY/pair_tersoff.h                     | 3 ++-
 unittest/formats/test_potential_file_reader.cpp | 8 ++++++++
 2 files changed, 10 insertions(+), 1 deletion(-)

diff --git a/src/MANYBODY/pair_tersoff.h b/src/MANYBODY/pair_tersoff.h
index 83ac73d5b8..2692a026b0 100644
--- a/src/MANYBODY/pair_tersoff.h
+++ b/src/MANYBODY/pair_tersoff.h
@@ -34,7 +34,6 @@ class PairTersoff : public Pair {
   virtual void init_style();
   double init_one(int, int);
 
- protected:
   struct Param {
     double lam1,lam2,lam3;
     double c,d,h;
@@ -50,8 +49,10 @@ class PairTersoff : public Pair {
     double c5,ca1,ca4;           // added for TersoffMOD
     double powern_del;
     double c0;                   // added for TersoffMODC
+    static const int NPARAMS_PER_LINE = 17;
   };
 
+ protected:
   Param *params;                // parameter set for an I-J-K interaction
   char **elements;              // names of unique elements
   int ***elem2param;            // mapping from element triplets to parameters
diff --git a/unittest/formats/test_potential_file_reader.cpp b/unittest/formats/test_potential_file_reader.cpp
index 51477f7ada..c01fb7a8f3 100644
--- a/unittest/formats/test_potential_file_reader.cpp
+++ b/unittest/formats/test_potential_file_reader.cpp
@@ -6,6 +6,7 @@
 #include "MANYBODY/pair_sw.h"
 #include "MANYBODY/pair_comb.h"
 #include "MANYBODY/pair_comb3.h"
+#include "MANYBODY/pair_tersoff.h"
 
 #include <mpi.h>
 
@@ -14,6 +15,7 @@ using namespace LAMMPS_NS;
 const int LAMMPS_NS::PairSW::Param::NPARAMS_PER_LINE;
 const int LAMMPS_NS::PairComb::Param::NPARAMS_PER_LINE;
 const int LAMMPS_NS::PairComb3::Param::NPARAMS_PER_LINE;
+const int LAMMPS_NS::PairTersoff::Param::NPARAMS_PER_LINE;
 
 class PotenialFileReaderTest : public ::testing::Test {
 protected:
@@ -49,6 +51,12 @@ TEST_F(PotenialFileReaderTest, Comb3) {
     ASSERT_EQ(utils::count_words(line), PairComb3::Param::NPARAMS_PER_LINE);
 }
 
+TEST_F(PotenialFileReaderTest, Tersoff) {
+    PotentialFileReader reader(lmp, "Si.tersoff", "Tersoff");
+    auto line = reader.next_line(PairTersoff::Param::NPARAMS_PER_LINE);
+    ASSERT_EQ(utils::count_words(line), PairTersoff::Param::NPARAMS_PER_LINE);
+}
+
 int main(int argc, char **argv)
 {
     MPI_Init(&argc, &argv);