From c5c340a97eb19da04354ccfd2b50a8ea9725ab61 Mon Sep 17 00:00:00 2001 From: Gabriel Wu Date: Tue, 4 Jun 2024 16:22:27 +0800 Subject: [PATCH] enhance run info (#134) --- unidock/src/main/main.cpp | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/unidock/src/main/main.cpp b/unidock/src/main/main.cpp index a230188..bc9e45d 100644 --- a/unidock/src/main/main.cpp +++ b/unidock/src/main/main.cpp @@ -1012,7 +1012,7 @@ bug reporting, license agreements, and more information. \n"; max_num_lig_pairs = std::max(max_num_lig_pairs,num_lig_pairs_vector.at(i)); } - printf("max_num_atoms%ld\n",max_num_atoms); + printf("max_num_atoms:%ld\n",max_num_atoms); printf("max_num_torsions:%ld\n",max_num_torsions); printf("max_num_rigids:%ld\n",max_num_rigids); printf("max_num_lig_pairs:%ld\n",max_num_lig_pairs); @@ -1038,13 +1038,13 @@ bug reporting, license agreements, and more information. \n"; printMaxValues(smallGroup); std::cout << "Medium Group:" << std::endl; - printMaxValues(mediumGroup); + if (!mediumGroup.empty()) printMaxValues(mediumGroup); std::cout << "Large Group:" << std::endl; - printMaxValues(largeGroup); + if (!largeGroup.empty()) printMaxValues(largeGroup); std::cout << "Extra Large Group:" << std::endl; - printMaxValues(extraLargeGroup); + if (!extraLargeGroup.empty()) printMaxValues(extraLargeGroup); int processed_ligands_smile = 0; int smile_batch_id = 0; int processed_ligands_medium = 0;