1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
|
%ModuleHeaderCode
#include <BALL/QSAR/NMRDescriptors.h>
%End
PyResidueDict& calculateResidueChiAngles(const Protein&);
%MethodCode
const Protein *a0;
if (sipParseArgs(&sipArgsParsed,sipArgs,"J1|fi",sipClass_Protein,&a0))
{
PyResidueDict *res;
res = new PyResidueDict;
calculateResidueChiAngles(*a0, *res);
PyObject *resobj = sipConvertFromMappedType(res,sipMappedType_PyResidueDict,NULL);
delete res;
return resobj;
}
%End
PyResidueDict& calculateResidueChiAngles(const Chain&);
%MethodCode
const Chain *a0;
if (sipParseArgs(&sipArgsParsed,sipArgs,"J1|fi",sipClass_Chain,&a0))
{
PyResidueDict *res;
res = new PyResidueDict;
calculateResidueChiAngles(*a0, *res);
PyObject *resobj = sipConvertFromMappedType(res,sipMappedType_PyResidueDict,NULL);
delete res;
return resobj;
}
%End
float calculateResidueChiAngles(const Residue&) const;
PyResidueDict& calculateResidueChi2Angles(const Protein&);
%MethodCode
const Protein *a0;
if (sipParseArgs(&sipArgsParsed,sipArgs,"J1|fi",sipClass_Protein,&a0))
{
PyResidueDict *res;
res = new PyResidueDict;
calculateResidueChiAngles(*a0, *res);
PyObject *resobj = sipConvertFromMappedType(res,sipMappedType_PyResidueDict,NULL);
delete res;
return resobj;
}
%End
PyResidueDict& calculateResidueChi2Angles(const Chain&);
%MethodCode
const Chain *a0;
if (sipParseArgs(&sipArgsParsed,sipArgs,"J1|fi",sipClass_Chain,&a0))
{
PyResidueDict *res;
res = new PyResidueDict;
calculateResidueChiAngles(*a0, *res);
PyObject *resobj = sipConvertFromMappedType(res,sipMappedType_PyResidueDict,NULL);
delete res;
return resobj;
}
%End
float calculateResidueChi2Angles(const Residue&) const;
|
