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Commits on Source (2)
......@@ -13728,7 +13728,8 @@ Last-Update: Thu, 12 Dec 2019 15:41:47 +0100
+ for (k,v) in list(dict.items()):
contents = contents.replace(k, v)
try:
f = open(targetfile, 'wb')
- f = open(targetfile, 'wb')
+ f = open(targetfile, 'w')
f.write(contents)
f.close()
except:
......@@ -14626,3 +14627,49 @@ Last-Update: Thu, 12 Dec 2019 15:41:47 +0100
-Alias('complete-test', testList)
\ No newline at end of file
+Alias('complete-test', testList)
--- a/pdb2pka/substruct/Algorithms.cpp
+++ b/pdb2pka/substruct/Algorithms.cpp
@@ -136,7 +136,7 @@ static PyObject *find_max_clique(PyObjec
for (int i=0; i<cliq.size; i++) {
cerr << cliq.vertex[i] << " ";
- PyList_Append(erg, PyInt_FromLong(cliq.vertex[i]));
+ PyList_Append(erg, PyLong_FromLong(cliq.vertex[i]));
}
for(int i = 0; i < n; i++) {
@@ -242,7 +242,7 @@ static PyObject *find_cliques(PyObject *
PyObject* cli = PyList_New(0);
for (int j=0; j < collector.cliques[i].size; j++) {
- PyList_Append(cli, PyInt_FromLong(collector.cliques[i].vertex[j]));
+ PyList_Append(cli, PyLong_FromLong(collector.cliques[i].vertex[j]));
}
PyList_Append(result, cli);
@@ -299,10 +299,24 @@ static PyMethodDef ModuleMethods[] = {
};
/*----------------------------------------------------------------------------*/
+
+// Followed
+// https://stackoverflow.com/questions/28305731/compiler-cant-find-py-initmodule-is-it-deprecated-and-if-so-what-should-i
+// to replace Py_InitModule
+
+static struct PyModuleDef cModMethods =
+{
+ PyModuleDef_HEAD_INIT,
+ MODULE_STR, /* name of module */
+ "", /* module documentation, may be NULL */
+ -1, /* size of per-interpreter state of the module, or -1 if the module keeps state in global variables. */
+ ModuleMethods
+};
+
PyMODINIT_FUNC MODULE_INIT()
{
- PyObject *ThisModule = Py_InitModule( MODULE_STR , ModuleMethods);
+ PyObject *ThisModule = PyModule_Create(&cModMethods);
PyObject *ModuleDict = PyModule_GetDict(ThisModule);
// for correct handling of Numpy