Line data Source code
1 : /* +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
2 : Copyright (c) 2012-2023 The plumed team
3 : (see the PEOPLE file at the root of the distribution for a list of names)
4 :
5 : See http://www.plumed.org for more information.
6 :
7 : This file is part of plumed, version 2.
8 :
9 : plumed is free software: you can redistribute it and/or modify
10 : it under the terms of the GNU Lesser General Public License as published by
11 : the Free Software Foundation, either version 3 of the License, or
12 : (at your option) any later version.
13 :
14 : plumed is distributed in the hope that it will be useful,
15 : but WITHOUT ANY WARRANTY; without even the implied warranty of
16 : MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
17 : GNU Lesser General Public License for more details.
18 :
19 : You should have received a copy of the GNU Lesser General Public License
20 : along with plumed. If not, see <http://www.gnu.org/licenses/>.
21 : +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ */
22 : #include "Vessel.h"
23 : #include "ActionWithVessel.h"
24 : #include "tools/Exception.h"
25 : #include "tools/Communicator.h"
26 : #include "tools/Log.h"
27 :
28 : namespace PLMD {
29 : namespace vesselbase {
30 :
31 : Keywords VesselOptions::emptyKeys;
32 :
33 600 : VesselOptions::VesselOptions(const std::string& thisname, const std::string& thislab, const unsigned& nlab, const std::string& params, ActionWithVessel* aa ):
34 600 : myname(thisname),
35 600 : mylabel(thislab),
36 600 : numlab(nlab),
37 600 : action(aa),
38 600 : keywords(emptyKeys),
39 600 : parameters(params)
40 : {
41 600 : }
42 :
43 449 : VesselOptions::VesselOptions(const VesselOptions& da, const Keywords& keys ):
44 449 : myname(da.myname),
45 449 : mylabel(da.mylabel),
46 449 : numlab(da.numlab),
47 449 : action(da.action),
48 449 : keywords(keys),
49 449 : parameters(da.parameters)
50 : {
51 449 : }
52 :
53 449 : void Vessel::registerKeywords( Keywords& keys ) {
54 449 : plumed_assert( keys.size()==0 );
55 898 : keys.add("optional","LABEL","the label used to reference this particular quantity");
56 449 : }
57 :
58 796 : std::string Vessel::transformName( const std::string& name ) {
59 796 : std::string tlabel=name;
60 : // Convert to lower case
61 4607 : std::transform( tlabel.begin(), tlabel.end(), tlabel.begin(), [](unsigned char c) { return std::tolower(c); } );
62 : // Remove any underscore characters (as these are reserved)
63 : for(unsigned i=0;; ++i) {
64 978 : std::size_t num=tlabel.find_first_of("_");
65 978 : if( num==std::string::npos ) break;
66 182 : tlabel.erase( tlabel.begin() + num, tlabel.begin() + num + 1 );
67 182 : }
68 796 : return tlabel;
69 : }
70 :
71 601 : Vessel::Vessel( const VesselOptions& da ):
72 601 : myname(da.myname),
73 601 : numlab(da.numlab),
74 601 : action(da.action),
75 601 : line(Tools::getWords( da.parameters )),
76 601 : keywords(da.keywords),
77 601 : finished_read(false)
78 : {
79 601 : if( da.mylabel.length()>0) {
80 0 : mylabel=da.mylabel;
81 : } else {
82 1607 : if( keywords.exists("LABEL") ) parse("LABEL",mylabel);
83 601 : if( mylabel.length()==0 && numlab>=0 ) {
84 938 : mylabel=transformName( myname ); std::string nn;
85 522 : if(numlab>0) { Tools::convert( numlab, nn ); mylabel = mylabel + "-" + nn; }
86 : }
87 : }
88 601 : }
89 :
90 89 : std::string Vessel::getName() const {
91 89 : return myname;
92 : }
93 :
94 28581 : std::string Vessel::getLabel() const {
95 28581 : return mylabel;
96 : }
97 :
98 172 : std::string Vessel::getAllInput() {
99 : std::string fullstring;
100 731 : for(unsigned i=0; i<line.size(); ++i) {
101 1118 : fullstring = fullstring + " " + line[i];
102 : }
103 172 : line.clear(); line.resize(0);
104 172 : return fullstring;
105 : }
106 :
107 122 : void Vessel::parseFlag(const std::string&key, bool & t) {
108 : // Check keyword has been registered
109 122 : plumed_massert(keywords.exists(key), "keyword " + key + " has not been registered");
110 : // Check keyword is a flag
111 244 : if(!keywords.style(key,"nohtml")) {
112 244 : plumed_massert(keywords.style(key,"flag"), "keyword " + key + " is not a flag");
113 : }
114 :
115 : // Read in the flag otherwise get the default value from the keywords object
116 122 : if(!Tools::parseFlag(line,key,t)) {
117 198 : if( keywords.style(key,"nohtml") ) {
118 0 : t=false;
119 198 : } else if ( !keywords.getLogicalDefault(key,t) ) {
120 0 : plumed_merror("there is a flag with no logical default in a vessel - weird");
121 : }
122 : }
123 122 : }
124 :
125 542 : void Vessel::checkRead() {
126 542 : if(!line.empty()) {
127 0 : std::string msg="cannot understand the following words from input : ";
128 0 : for(unsigned i=0; i<line.size(); i++) {
129 0 : if(i>0) msg = msg + ", ";
130 0 : msg = msg + line[i];
131 : }
132 0 : error(msg);
133 : }
134 542 : finished_read=true;
135 542 : std::string describe=description();
136 542 : if( describe.length()>0 && action ) action->log.printf(" %s\n", describe.c_str() );
137 542 : }
138 :
139 0 : [[noreturn]] void Vessel::error( const std::string& msg ) {
140 0 : if( action ) {
141 0 : action->log.printf("ERROR for keyword %s in action %s with label %s : %s \n \n",myname.c_str(), (action->getName()).c_str(), (action->getLabel()).c_str(), msg.c_str() );
142 0 : if(finished_read) keywords.print( action->log );
143 0 : plumed_merror("ERROR for keyword " + myname + " in action " + action->getName() + " with label " + action->getLabel() + " : " + msg );
144 : } else {
145 0 : plumed_merror("ERROR: " + msg);
146 : }
147 : }
148 :
149 : }
150 : }
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