updated tests

tests/test_pyqrc.py

@@ -0,0 +1,20 @@
+#!/usr/bin/env python
+# -*- coding: utf-8 -*-
+
+import os
+import pytest
+import math
+from pyqrc import pyQRC as QRC
+from conftest import datapath
+
+python -m pyqrc acetaldehyde.log --nproc 4 --mem 8GB
+
+@pytest.mark.parametrize("path, nproc, mem", [
+    ('acetaldehyde.log', 4,  '8GB'),
+])
+def test_QRC(path, nproc, mem):
+    amplitude = 0.2
+    route = None
+    verbose = True
+    suffix = 'QRC'
+    qrc = QRC.gen_qrc(path, amplitude, nproc, mem, route, verbose, suffix)