source: src/Jobs/MPQCData_printName.hpp@ 8cae4c

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Last change on this file since 8cae4c was 8cae4c, checked in by Frederik Heber <heber@…>, 12 years ago

FragmentationAutomationAction now may sum up almost everything.

  • split MPQCDataMap_t into Energy, Force, and TimeMap as boost::fusion::map may only consist of up to 9 template types.
  • added boost::mpl::list enumerations of the map keys.
  • using boost::mpl::for_each to go through each map key that is used a specialization type to a printSum() function that calls OrthogonalSummation, sums up, and prints the result.
  • TODO: Missing Histogram cstor for vector<double>, missing class for forces with the four required operators, times need just to be summed up, not orthogonalized.
  • Property mode set to 100644
File size: 2.4 KB
Line 
1/*
2 * MPQCData_printName.hpp
3 *
4 * Created on: 28.07.2012
5 * Author: heber
6 */
7
8#ifndef MPQCDATA_PRINTNAME_HPP_
9#define MPQCDATA_PRINTNAME_HPP_
10
11// include config.h
12#ifdef HAVE_CONFIG_H
13#include <config.h>
14#endif
15
16//#include <iosfwd>
17#include <string>
18
19#include <boost/preprocessor/iteration/local.hpp>
20#include <boost/preprocessor/seq/elem.hpp>
21#include <boost/preprocessor/seq/seq.hpp>
22#include <boost/preprocessor/seq/size.hpp>
23#include <boost/preprocessor/stringize.hpp>
24
25/** this is the boost::preprocessor::sequence of the keys in the boost::fusion::map
26 *
27 * Basically, every key appears here in brackets. If so, then the preprocessor magic
28 * below will create a template specialization of the printName() function in the
29 * namespace MPQCDataNames.
30 */
31#define tokensequence \
32 (energy_total) \
33 (energy_nuclear_repulsion) \
34 (energy_electron_repulsion) \
35 (energy_correlation) \
36 (energy_overlap) \
37 (energy_kinetic) \
38 (energy_hcore) \
39 (energy_eigenvalues) \
40 (forces) \
41 (times_walltime) \
42 (times_cputime) \
43 (times_flops)
44
45/// we take note of the number of keys in tokensequence as (local) loop bounds below
46#ifndef tokensequence
47#define MAXTOKENS 0
48#else
49#define MAXTOKENS BOOST_PP_SEQ_SIZE(tokensequence)
50#endif
51
52//!> this is the macro function which prints the specialized template function
53#define printName_specializer(z, n, NAMESPACE, TOKENSEQ, NAMESEQ ) \
54 template<> std::string printName< NAMESPACE :: BOOST_PP_SEQ_ELEM( n, TOKENSEQ ) >() { \
55 return std::string( BOOST_PP_STRINGIZE( BOOST_PP_SEQ_ELEM( n, NAMESEQ ) ) ); \
56 }
57
58/** Specific namespace for all the specialized template functions that print
59 * a useful name for each of the boost::fusion::map key.
60 */
61namespace MPQCDataNames {
62
63 /** This function needs to be specialized for every member variable in MPQCData
64 * such that it prints the name of the member variable.
65 *
66 * By default, we just return an empty string.
67 */
68 template <typename T> std::string printName() {
69 return std::string();
70 };
71
72 // iterate (line-wise) over the sequence and spill out a specialized printName
73#if defined tokensequence && defined MAXTOKENS && defined printName_specializer
74#define BOOST_PP_LOCAL_MACRO(n) printName_specializer(~, n, MPQCDataFused, tokensequence, tokensequence)
75#define BOOST_PP_LOCAL_LIMITS (0, MAXTOKENS-1)
76#include BOOST_PP_LOCAL_ITERATE()
77#endif
78
79}; /* namespace MPQCDataNames */
80
81#undef tokensequence
82#undef printName_specializer
83
84#undef MAXTOKENS
85
86#endif /* MPQCDATA_PRINTNAME_HPP_ */
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