From 053d1c31605209df5cf5d1372d5d4da17775adc6 Mon Sep 17 00:00:00 2001
From: Marcin Kirsz <mkirsz@ed.ac.uk>
Date: Mon, 15 Apr 2024 17:04:53 +0100
Subject: [PATCH] Return number of atoms in a structure
---
structure.cpp | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/structure.cpp b/structure.cpp
index 257dfe7..0f676c5 100644
--- a/structure.cpp
+++ b/structure.cpp
@@ -213,9 +213,9 @@ int Structure::next_structure(std::ifstream &ifs) {
int natoms=0;
while(std::getline(ifs,line)) {
- natoms++;
if(line.empty()) break;
if(line == "\r") break; // detects windows newline
+ natoms++;
}
return natoms;
}
--
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