source: src/Actions/MakroAction_impl_pre.hpp@ fae462

Action_Thermostats Add_AtomRandomPerturbation Add_FitFragmentPartialChargesAction Add_RotateAroundBondAction Add_SelectAtomByNameAction Added_ParseSaveFragmentResults AddingActions_SaveParseParticleParameters Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_ParticleName_to_Atom Adding_StructOpt_integration_tests AtomFragments Automaking_mpqc_open AutomationFragmentation_failures Candidate_v1.5.4 Candidate_v1.6.0 Candidate_v1.6.1 ChangeBugEmailaddress ChangingTestPorts ChemicalSpaceEvaluator CombiningParticlePotentialParsing Combining_Subpackages Debian_Package_split Debian_package_split_molecuildergui_only Disabling_MemDebug Docu_Python_wait EmpiricalPotential_contain_HomologyGraph EmpiricalPotential_contain_HomologyGraph_documentation Enable_parallel_make_install Enhance_userguide Enhanced_StructuralOptimization Enhanced_StructuralOptimization_continued Example_ManyWaysToTranslateAtom Exclude_Hydrogens_annealWithBondGraph FitPartialCharges_GlobalError Fix_BoundInBox_CenterInBox_MoleculeActions Fix_ChargeSampling_PBC Fix_ChronosMutex Fix_FitPartialCharges Fix_FitPotential_needs_atomicnumbers Fix_ForceAnnealing Fix_IndependentFragmentGrids Fix_ParseParticles Fix_ParseParticles_split_forward_backward_Actions Fix_PopActions Fix_QtFragmentList_sorted_selection Fix_Restrictedkeyset_FragmentMolecule Fix_StatusMsg Fix_StepWorldTime_single_argument Fix_Verbose_Codepatterns Fix_fitting_potentials Fixes ForceAnnealing_goodresults ForceAnnealing_oldresults ForceAnnealing_tocheck ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_continued ForceAnnealing_with_BondGraph_continued_betteresults ForceAnnealing_with_BondGraph_contraction-expansion FragmentAction_writes_AtomFragments FragmentMolecule_checks_bonddegrees GeometryObjects Gui_Fixes Gui_displays_atomic_force_velocity ImplicitCharges IndependentFragmentGrids IndependentFragmentGrids_IndividualZeroInstances IndependentFragmentGrids_IntegrationTest IndependentFragmentGrids_Sole_NN_Calculation JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool JobMarket_unresolvable_hostname_fix MoreRobust_FragmentAutomation ODR_violation_mpqc_open PartialCharges_OrthogonalSummation PdbParser_setsAtomName PythonUI_with_named_parameters QtGui_reactivate_TimeChanged_changes Recreated_GuiChecks Rewrite_FitPartialCharges RotateToPrincipalAxisSystem_UndoRedo SaturateAtoms_findBestMatching SaturateAtoms_singleDegree StoppableMakroAction Subpackage_CodePatterns Subpackage_JobMarket Subpackage_LinearAlgebra Subpackage_levmar Subpackage_mpqc_open Subpackage_vmg Switchable_LogView ThirdParty_MPQC_rebuilt_buildsystem TrajectoryDependenant_MaxOrder TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps TremoloParser_setsAtomName Ubuntu_1604_changes stable
Last change on this file since fae462 was 329cf3, checked in by Frederik Heber <heber@…>, 10 years ago

FIX: All MakroActions now have prototype_actions and copy from that.

  • this fixes the segfault when calling a MakroAction such as MolecularDynamics and unchecking output-every-step, causing the OutputAction to be removed from the sequence, and when re-performing Action with again unchecked option, the action cannot be removed any longer.
  • prototype_actions is prepared in ActionRegistry on program start and all cloned MakroActions copy their specific actions set and MakroAction accesses it via a ref in callAll().
  • Property mode set to 100644
File size: 13.8 KB
Line 
1/*
2 * Action_impl.hpp
3 *
4 * Created on: Aug 25, 2010
5 * Author: heber
6 */
7
8/** These macros define the following functions, necessary but repetitive for
9 * every Action:
10 * -# Dialog* fillDialog()
11 * -# action command (e.g. AnalysisMolecularVolume() )
12 * -# void getParametersfromValuStorage()
13 * -# struct Action...Parameters
14 *
15 * For this, the user has the define the following values, each with
16 * parenthesis, for the values/parameters the action needs
17 * -# paramtypes, e.g. (int)(double)
18 * -# paramtokens, e.g. ("Z")("length")
19 * -# paramreferences, e.g. (Z)(length)
20 * and for additional values/parameters to save in the state
21 * -# statetypes, e.g. (int)(double)
22 * -# statereferences, e.g. (Z)(length)
23 * and the name and category of the action
24 * -# CATEGORY, e.g. Analysis
25 * -# ACTIONNAME, e.g. MolecularVolume
26 */
27
28// include config.h
29#ifdef HAVE_CONFIG_H
30#include <config.h>
31#endif
32
33#include "CodePatterns/Chronos.hpp"
34
35#include <boost/preprocessor/cat.hpp>
36#include <boost/preprocessor/expand.hpp>
37#include <boost/preprocessor/comparison/equal.hpp>
38#include <boost/preprocessor/comparison/not_equal.hpp>
39#include <boost/preprocessor/control/expr_if.hpp>
40#include <boost/preprocessor/control/if.hpp>
41#include <boost/preprocessor/debug/assert.hpp>
42#include <boost/preprocessor/iteration/local.hpp>
43#include <boost/preprocessor/list/adt.hpp>
44#include <boost/preprocessor/punctuation/comma_if.hpp>
45#include <boost/preprocessor/repetition/repeat.hpp>
46#include <boost/preprocessor/seq/elem.hpp>
47#include <boost/preprocessor/seq/push_back.hpp>
48#include <boost/preprocessor/seq/seq.hpp>
49#include <boost/preprocessor/seq/size.hpp>
50#include <boost/preprocessor/seq/transform.hpp>
51
52#include "Actions/ActionQueue.hpp"
53#include "Actions/toCLIString.hpp"
54#include "Actions/toPythonString.hpp"
55#include "Parameters/Parameter.hpp"
56
57
58// some derived names: if CATEGORY is not given, we don't prefix with it
59#ifdef CATEGORY
60#define ACTION BOOST_PP_CAT(CATEGORY, BOOST_PP_CAT(ACTIONNAME, Action))
61#define COMMAND BOOST_PP_CAT(CATEGORY, ACTIONNAME)
62#define STATE BOOST_PP_CAT(CATEGORY, BOOST_PP_CAT(ACTIONNAME, State))
63#define PARAMS BOOST_PP_CAT(CATEGORY, BOOST_PP_CAT(ACTIONNAME, Parameters))
64#else
65#define ACTION BOOST_PP_CAT(ACTIONNAME, Action)
66#define COMMAND ACTIONNAME
67#define STATE BOOST_PP_CAT(ACTIONNAME, State)
68#define PARAMS BOOST_PP_CAT(ACTIONNAME, Parameters)
69#endif
70#define INSTANCE BOOST_PP_CAT(this_, BOOST_PP_CAT(ACTIONNAME, _instance))
71
72// check if no lists given
73#ifndef paramtypes
74#define MAXPARAMTYPES 0
75#else
76#define MAXPARAMTYPES BOOST_PP_SEQ_SIZE(paramtypes)
77#endif
78#ifndef statetypes
79#define MAXSTATETYPES 0
80#else
81#define MAXSTATETYPES BOOST_PP_SEQ_SIZE(statetypes)
82#endif
83#ifndef paramdefaults
84#define MAXPARAMDEFAULTS 0
85// this is required for valid_print "else part"
86#define sequencer(z,n,data) \
87 BOOST_PP_SEQ_PUSH_BACK( data, NOPARAM_DEFAULT)
88#define paramdefaults BOOST_PP_REPEAT( MAXPARAMTYPES, sequencer, BOOST_PP_SEQ_NIL )
89#else
90#define MAXPARAMDEFAULTS BOOST_PP_SEQ_SIZE(paramdefaults)
91#endif
92#define PARAM_DEFAULT(x) \
93 (x, BOOST_PP_NIL)
94
95// check user has given name and category
96#ifndef ACTIONNAME
97ERROR: No "ACTIONNAME" defined in: __FILE__
98#endif
99
100// calculate numbers and check whether all have same size
101#ifdef paramtokens
102BOOST_PP_ASSERT_MSG(BOOST_PP_EQUAL(MAXPARAMTYPES, BOOST_PP_SEQ_SIZE(paramtokens)),\
103 ERROR: There are not the same number of "paramtokens" and "paramtypes" in: __FILE__ \
104)
105#endif
106#ifdef paramreferences
107BOOST_PP_ASSERT_MSG(BOOST_PP_EQUAL(MAXPARAMTYPES, BOOST_PP_SEQ_SIZE(paramreferences)),\
108 ERROR: There are not the same number of "paramtokens" and "paramreferences" in: __FILE__ \
109)
110#endif
111
112#ifdef statetypes
113BOOST_PP_ASSERT_MSG(BOOST_PP_EQUAL(MAXSTATETYPES, BOOST_PP_SEQ_SIZE(statereferences)),\
114 ERROR: There are not the same number of "statetypes" and "statereferences" in: __FILE__ \
115)
116#endif
117
118// print a list of type ref followed by a separator, i.e. "int i;"
119#define initialiser_print(z,n,initialiserlist) \
120 BOOST_PP_SEQ_ELEM(n, initialiserlist) \
121 (BOOST_PP_CAT(_, BOOST_PP_SEQ_ELEM(n, initialiserlist))),
122
123// print a list of ref(_ref) followed by a separator, i.e. "id(_id),"
124#define type_print(z,n,TYPELIST, VARLIST, separator) \
125 BOOST_PP_SEQ_ELEM(n, TYPELIST) \
126 BOOST_PP_SEQ_ELEM(n, VARLIST)\
127 separator
128
129// print a list of type ref followed, i.e. "int i, double position"
130#define type_list(z,n,TYPELIST,VARLIST) \
131 BOOST_PP_COMMA_IF(n)\
132 BOOST_PP_SEQ_ELEM(n, TYPELIST) \
133 BOOST_PP_SEQ_ELEM(n, VARLIST)
134
135// prints dialog->query calls for paramtypes with tokens
136#define dialog_print(z,n,unused) \
137 dialog->query<\
138 BOOST_PP_SEQ_ELEM(n, paramtypes)\
139 >( params. \
140 BOOST_PP_SEQ_ELEM(n, paramreferences)\
141 ,\
142 BOOST_PP_SEQ_ELEM(n, paramtokens)\
143 , Traits.getDescription()\
144 );
145
146// prints command line call for this Action for paramtypes with tokens
147#define outputAsCLI_print(z,n,output) \
148 output << \
149 BOOST_PP_IF(n, " --", "--") \
150 << \
151 BOOST_PP_SEQ_ELEM(n, paramtokens) \
152 << " " << toCLIString(params. \
153 BOOST_PP_SEQ_ELEM(n, paramreferences) \
154 .get());
155
156// prints if statement to check two strings (paramtokens[n] vs. TOKEN)
157#define checkpresenttoken_print(z, n, TOKEN, booltoken) \
158 if ( std::string(\
159 BOOST_PP_SEQ_ELEM(n, paramtokens) )\
160 == getName()) \
161 booltoken = false;
162
163// prints command line call for this Action for paramtypes with tokens
164#define outputAsPython_print(z,n,output) \
165 output << \
166 BOOST_PP_IF(n, ", ", "") \
167 << "\"" << toPythonString(params. \
168 BOOST_PP_SEQ_ELEM(n, paramreferences) \
169 .get()) \
170 << "\"";
171
172// print an initialiser list, i.e. "var( token, valid (,default) )(,)"
173#define valid_print(z,n,TOKENLIST, VARLIST, VALIDLIST, DEFAULTLIST) \
174 BOOST_PP_COMMA_IF(n) \
175 BOOST_PP_SEQ_ELEM(n, VARLIST) \
176 ( \
177 BOOST_PP_SEQ_ELEM(n, TOKENLIST) \
178 , \
179 BOOST_PP_SEQ_ELEM(n, VALIDLIST) \
180 BOOST_PP_COMMA_IF( BOOST_PP_NOT( BOOST_PP_LIST_IS_NIL( BOOST_PP_SEQ_ELEM(n, DEFAULTLIST) ) ) ) \
181 BOOST_PP_EXPR_IF( \
182 BOOST_PP_NOT( BOOST_PP_LIST_IS_NIL( BOOST_PP_SEQ_ELEM(n, DEFAULTLIST) ) ), \
183 BOOST_PP_LIST_FIRST( BOOST_PP_SEQ_ELEM(n, DEFAULTLIST) )) \
184 )
185
186// print an initialiser list, i.e. "var( valid . var )(,)"
187#define validcopy_print(z,n,TOKENLIST, VARLIST, VALID) \
188 BOOST_PP_COMMA_IF(n) \
189 BOOST_PP_SEQ_ELEM(n, VARLIST) \
190 ( \
191 VALID . \
192 BOOST_PP_SEQ_ELEM(n, VARLIST) \
193 )
194
195// prints set/queryCurrentValue (command) for paramreferences and paramtokens
196#define value_print(z, n, container, prefix) \
197 prefix \
198 BOOST_PP_SEQ_ELEM(n, container)\
199 .set(\
200 BOOST_PP_SEQ_ELEM(n, container)\
201 );
202
203// prints set/queryCurrentValue (command) for paramreferences and paramtokens
204#define valuetype_print(z,n,container, types, prefix) \
205 prefix \
206 BOOST_PP_SEQ_ELEM(n, container) \
207 .setAsString( \
208 BOOST_PP_SEQ_ELEM(n, container) \
209 );
210
211#define stringtype std::string
212
213#define type2string(s, data, elem) \
214 stringtype
215
216
217#include "Actions/ActionRegistry.hpp"
218//#include "Actions/ActionTraits.hpp"
219#include "UIElements/Dialog.hpp"
220
221#ifdef paramtokens
222#define statenecessary 1
223#endif
224#ifndef statetokens
225#define statenecessary 1
226#endif
227
228namespace MoleCuilder {
229
230// =========== memento to remember the state when undoing ===========
231#ifdef statenecessary
232class STATE : public ActionState {
233public:
234 STATE(
235#if defined statetypes && defined statereferences // if we have states, we have to add "_" before each reference and add the params as the last one
236#define OP(s,data,elem) BOOST_PP_CAT(data, elem) // OP to add "_"
237#define BOOST_PP_LOCAL_MACRO(n) type_list(~, n, BOOST_PP_SEQ_PUSH_BACK(statetypes, const ACTION::PARAMS &), BOOST_PP_SEQ_TRANSFORM(OP, _, BOOST_PP_SEQ_PUSH_BACK(statereferences, params)))
238#else /// if not, params is only list
239#define BOOST_PP_LOCAL_MACRO(n) type_list(~, n, (const ACTION::PARAMS &), (_params))
240#endif
241#define BOOST_PP_LOCAL_LIMITS (0, MAXSTATETYPES)
242#include BOOST_PP_LOCAL_ITERATE()
243) :
244#if defined statetypes && defined statereferences // do we have states at all?
245BOOST_PP_REPEAT(MAXSTATETYPES, initialiser_print, statereferences)
246#endif
247params(_params)
248 {}
249
250#if defined statetypes && defined statereferences // do we have parameters at all?
251#define BOOST_PP_LOCAL_MACRO(n) type_print(~, n, statetypes, statereferences, ;)
252#define BOOST_PP_LOCAL_LIMITS (0, MAXSTATETYPES-1)
253#include BOOST_PP_LOCAL_ITERATE()
254#endif
255 ACTION::PARAMS params;
256};
257#endif /* statenecessary */
258
259// (const) prototype to be placed into the ActionRegistry (must be deleted by registry itself)
260//const ACTION INSTANCE;
261//boost::shared_ptr< ACTION > INSTANCE( new ACTION() );
262
263// =========== constructor ===========
264ACTION::ACTION () :
265 MakroAction(ActionTraits< ACTION >(), actions),
266 actions(prototype_actions)
267{}
268
269// =========== destructor ===========
270ACTION::~ACTION ()
271{
272 //std::cout << "Action ACTION is being destroyed." << std::endl;
273}
274
275// =========== parameter constructor ===========
276ACTION::PARAMS::PARAMS()
277#if defined paramtokens && defined paramreferences && defined paramvalids
278 :
279#define BOOST_PP_LOCAL_MACRO(n) valid_print(~, n, paramtokens, paramreferences, paramvalids, paramdefaults)
280#define BOOST_PP_LOCAL_LIMITS (0, MAXPARAMTYPES-1)
281#include BOOST_PP_LOCAL_ITERATE()
282#endif
283 {}
284
285ACTION::PARAMS::PARAMS(const PARAMS &p)
286#if defined paramtokens && defined paramreferences
287 :
288#define BOOST_PP_LOCAL_MACRO(n) validcopy_print(~, n, paramtokens, paramreferences, p)
289#define BOOST_PP_LOCAL_LIMITS (0, MAXPARAMTYPES-1)
290#include BOOST_PP_LOCAL_ITERATE()
291#endif
292 {}
293
294// =========== clone Action ===========
295Action* ACTION::clone(enum QueryOptions flag) const
296{
297 return new ACTION();
298}
299
300// =========== fill a dialog ===========
301Dialog* ACTION::fillOwnDialog(Dialog *dialog) {
302 ASSERT(dialog,"No Dialog given when filling actionname's dialog");
303#if BOOST_PP_EQUAL(MAXPARAMTYPES,0)
304 dialog->queryEmpty(TOKEN, Traits.getDescription());
305#else
306#define BOOST_PP_LOCAL_MACRO(n) dialog_print(~, n, ~)
307#define BOOST_PP_LOCAL_LIMITS (0, MAXPARAMTYPES-1)
308#include BOOST_PP_LOCAL_ITERATE()
309#endif
310 return dialog;
311};
312
313// =========== output as CLI ===========
314void ACTION::outputAsCLI(std::ostream &ost) const {
315 // check whether TOKEN is also an option
316 // is a bit ugly as preprocessor cannot compare strings
317 bool status = true;
318#if defined paramtokens && BOOST_PP_NOT_EQUAL(MAXPARAMTYPES,0)
319#define BOOST_PP_LOCAL_MACRO(n) checkpresenttoken_print(~, n, TOKEN, status)
320#define BOOST_PP_LOCAL_LIMITS (0, MAXPARAMTYPES-1)
321#include BOOST_PP_LOCAL_ITERATE()
322#endif
323 if (status) {
324 ost << "--" << TOKEN;
325#if defined paramtypes && defined paramreferences && BOOST_PP_NOT_EQUAL(MAXPARAMTYPES,0)
326 ost << " ";
327#endif
328 }
329 // then print option along with each argument if set
330#if defined paramtypes && defined paramreferences && BOOST_PP_NOT_EQUAL(MAXPARAMTYPES,0)
331#define BOOST_PP_LOCAL_MACRO(n) outputAsCLI_print(~, n, ost)
332#define BOOST_PP_LOCAL_LIMITS (0, MAXPARAMTYPES-1)
333#include BOOST_PP_LOCAL_ITERATE()
334#endif
335}
336
337// =========== output as PYTHTON ===========
338void ACTION::outputAsPython(std::ostream &ost, const std::string &prefix) const {
339 // print prefix and action command
340 ost << prefix << "." << BOOST_PP_STRINGIZE( COMMAND ) << "(";
341 // then print option along with each argument if set
342#if defined paramtypes && defined paramreferences && BOOST_PP_NOT_EQUAL(MAXPARAMTYPES,0)
343#define BOOST_PP_LOCAL_MACRO(n) outputAsCLI_print(~, n, ost)
344#define BOOST_PP_LOCAL_LIMITS (0, MAXPARAMTYPES-1)
345#include BOOST_PP_LOCAL_ITERATE()
346#endif
347 ost << ")" << std::endl;
348}
349
350// =========== time the action ===========
351// we need this here to have the correct function name
352void ACTION::startTimer() const { Chronos::getInstance().startTiming( std::string( TOKEN ) ); }
353void ACTION::endTimer() const { Chronos::getInstance().endTiming( std::string( TOKEN ) ); }
354
355// =========== command for calling action directly ===========
356void COMMAND(
357#if defined paramtypes && defined paramreferences && BOOST_PP_NOT_EQUAL(MAXPARAMTYPES,0)
358#define BOOST_PP_LOCAL_MACRO(n) type_list(~, n, paramtypes, paramreferences)
359#define BOOST_PP_LOCAL_LIMITS (0, MAXPARAMTYPES-1)
360#include BOOST_PP_LOCAL_ITERATE()
361#endif
362)
363{
364 ACTION *ToCall = dynamic_cast<ACTION*>(ActionQueue::getInstance().getActionByName( TOKEN )); //->clone(params);
365 //ACTION::PARAMS params;
366#if defined paramreferences && BOOST_PP_NOT_EQUAL(MAXPARAMTYPES,0)
367#define BOOST_PP_LOCAL_MACRO(n) value_print(~, n, paramreferences, ToCall->params.)
368#define BOOST_PP_LOCAL_LIMITS (0, MAXPARAMTYPES-1)
369#include BOOST_PP_LOCAL_ITERATE()
370#endif
371 Action::insertAction( ToCall, Action::NonInteractive);
372};
373
374void BOOST_PP_CAT( COMMAND, _stringargs)(
375#if defined paramtypes && defined paramreferences && BOOST_PP_NOT_EQUAL(MAXPARAMTYPES,0)
376#define BOOST_PP_LOCAL_MACRO(n) type_list(~, n, BOOST_PP_SEQ_TRANSFORM( type2string, , paramtypes), paramreferences)
377#define BOOST_PP_LOCAL_LIMITS (0, MAXPARAMTYPES-1)
378#include BOOST_PP_LOCAL_ITERATE()
379#endif
380 ) {
381 ACTION *ToCall = dynamic_cast<ACTION*>(ActionQueue::getInstance().getActionByName( TOKEN )); //->clone(params);
382 //ACTION::PARAMS params;
383#if defined paramtypes && defined paramtypes && BOOST_PP_NOT_EQUAL(MAXPARAMTYPES,0)
384#define BOOST_PP_LOCAL_MACRO(n) valuetype_print(~, n, paramreferences, paramtypes, ToCall->params. )
385#define BOOST_PP_LOCAL_LIMITS (0, MAXPARAMTYPES-1)
386#include BOOST_PP_LOCAL_ITERATE()
387#endif
388 Action::insertAction( ToCall, Action::NonInteractive);
389};
390
391}
392
393// free up defines
394#undef paramvalids
395#undef paramtypes
396#undef paramtokens
397#undef paramreferences
398#undef paramdescriptions
399#undef paramdefaults
400#undef MAXPARAMTYPES
401#undef MAXPARAMDEFAULTS
402#undef statetypes
403#undef statereferences
404#undef MAXSTATETYPES
405#undef PARAM_DEFAULT
406
407#undef type2string
408#undef stringtype
409#undef initialiser_print
410#undef type_print
411#undef type_list
412#undef dialog_print
413#undef sequencer
414#undef valid_print
415#undef validcopy_print
416#undef value_print
417#undef valuetype_print
418
419#undef ACTION
420#undef COMMAND
421#undef PARAMS
422#undef STATE
423#undef INSTANCE
424
425#undef ACTIONNAME
426#undef CATEGORY
427#undef TOKEN
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