From 7f4483f19ef8a7c31a0a8d9cc95a6ef876ca217e Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?Fran=C3=A7ois=20Coppens?= <francois.coppens@uvsq.fr>
Date: Mon, 22 Feb 2021 18:18:00 +0100
Subject: [PATCH] - Made test.cpp use variable dataset. - Started cleanup and
 restructuring file tree.

---
 .gitignore                                  | 2 +-
 QMCChem_dataset_test.f90                    | 2 +-
 dataset.dat => datasets/update_cycle_13.dat | 0
 test.dataset.dat                            | 0
 tests/test.cpp                              | 3 +--
 5 files changed, 3 insertions(+), 4 deletions(-)
 rename dataset.dat => datasets/update_cycle_13.dat (100%)
 delete mode 100644 test.dataset.dat

diff --git a/.gitignore b/.gitignore
index ef210b4..84a179d 100644
--- a/.gitignore
+++ b/.gitignore
@@ -7,4 +7,4 @@ QMCChem_dataset_test
 Slater*
 Updates*
 tests/test
-datasets.hdf5
\ No newline at end of file
+datasets/datasets.*
\ No newline at end of file
diff --git a/QMCChem_dataset_test.f90 b/QMCChem_dataset_test.f90
index 5fe549a..ecd01f9 100644
--- a/QMCChem_dataset_test.f90
+++ b/QMCChem_dataset_test.f90
@@ -10,7 +10,7 @@ program QMCChem_dataset_test
     real(c_double), dimension(:,:), allocatable :: Updates
     real(c_double), dimension(:,:), allocatable :: S, S_inv, S_inv_trans
 
-    call Read_dataset("dataset.dat", &
+    call Read_dataset("update_cycle_13.dat", &
                        cycle_id, &
                        dim, &
                        n_updates, &
diff --git a/dataset.dat b/datasets/update_cycle_13.dat
similarity index 100%
rename from dataset.dat
rename to datasets/update_cycle_13.dat
diff --git a/test.dataset.dat b/test.dataset.dat
deleted file mode 100644
index e69de29..0000000
diff --git a/tests/test.cpp b/tests/test.cpp
index 1653f72..8e31c09 100644
--- a/tests/test.cpp
+++ b/tests/test.cpp
@@ -23,7 +23,6 @@ void read_double(H5File file, std::string key, double * data) {
   ds.close();
 }
 
-
 int test_cycle(H5File file, int cycle) {
 
   /* Read the data */
@@ -77,7 +76,7 @@ int main(int argc, char **argv) {
   int cycle = std::stoi(argv[1]);
   H5File file(FILE_NAME, H5F_ACC_RDONLY);
 
-  bool ok = test_cycle(file, 21);
+  bool ok = test_cycle(file, cycle);
 
   if (ok) {
     std::cerr << "ok -- cycle " << std::to_string(cycle) << std::endl;