Line data Source code
1 : /* +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
2 : Copyright (c) 2012-2019 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 "core/Action.h"
23 : #include "core/ActionRegister.h"
24 : #include "core/PlumedMain.h"
25 : #include "tools/Exception.h"
26 :
27 : using namespace std;
28 :
29 : namespace PLMD {
30 : namespace generic {
31 :
32 : //+PLUMEDOC GENERIC INCLUDE
33 : /*
34 : Includes an external input file, similar to "#include" in C preprocessor.
35 :
36 : Useful to split very large plumed.dat files.
37 :
38 : \par Examples
39 :
40 : This input:
41 : \plumedfile
42 : c1: COM ATOMS=1-100
43 : c2: COM ATOMS=101-202
44 : d: DISTANCE ATOMS=c1,c2
45 : PRINT ARG=d
46 : \endplumedfile
47 : can be replaced with this input:
48 : \plumedfile
49 : INCLUDE FILE=pippo.dat
50 : d: DISTANCE ATOMS=c1,c2
51 : PRINT ARG=d
52 : \endplumedfile
53 : where the content of file pippo.dat is
54 : \plumedfile
55 : c1: COM ATOMS=1-100
56 : c2: COM ATOMS=101-202
57 : \endplumedfile
58 :
59 : The files in this example are rather short, but imagine a case like this one:
60 : \plumedfile
61 : INCLUDE FILE=groups.dat
62 : c: COORDINATION GROUPA=groupa GROUPB=groupb R_0=0.5
63 : METAD ARG=c HEIGHT=0.2 PACE=100 SIGMA=0.2 BIASFACTOR=5
64 : \endplumedfile
65 : Here `groups.dat` could be huge file containing group definitions such as
66 : \plumedfile
67 : groupa: GROUP ...
68 : ATOMS={
69 : 10
70 : 50
71 : 60
72 : ## imagine a long list here
73 : 70
74 : 80
75 : 120
76 : }
77 : ...
78 : groupb: GROUP ...
79 : ATOMS={
80 : 11
81 : 51
82 : 61
83 : ## imagine a long list here
84 : 71
85 : 81
86 : 121
87 : }
88 : ...
89 : \endplumedfile
90 : So, included files are the best place where one can store long definitions.
91 :
92 : Another case where INCLUDE is very useful is when running multi-replica simulations.
93 : Here different replicas might have different input files, but perhaps a large part of the
94 : input is shared. This part can be put in a common included file. For instance you could have
95 : `common.dat`:
96 : \plumedfile
97 : # this is common.dat
98 : t: TORSION ATOMS=1,2,3,4
99 : \endplumedfile
100 : Then `plumed.0.dat`:
101 : \plumedfile
102 : # this is plumed.0.dat
103 : INCLUDE FILE=common.dat
104 : RESTRAINT ARG=t AT=1.0 KAPPA=10
105 : \endplumedfile
106 : And `plumed.1.dat`:
107 : \plumedfile
108 : # this is plumed.1.dat
109 : INCLUDE FILE=common.dat
110 : RESTRAINT ARG=t AT=1.2 KAPPA=10
111 : \endplumedfile
112 :
113 : \warning
114 : Remember that when using multi replica simulations whenever plumed tried to open
115 : a file for reading it looks for a file with the replica suffix first.
116 : This is true also for files opened by INCLUDE!
117 :
118 : As an example, the same result of the inputs above could have been obtained using
119 : `plumed.dat`:
120 : \plumedfile
121 : # this is plumed.dat
122 : t: TORSION ATOMS=1,2,3,4
123 : INCLUDE FILE=other.dat
124 : \endplumedfile
125 : Then `other.0.dat`:
126 : \plumedfile
127 : # this is other.0.dat
128 : RESTRAINT ARG=t AT=1.0 KAPPA=10
129 : \endplumedfile
130 : And `other.1.dat`:
131 : \plumedfile
132 : # this is other.1.dat
133 : RESTRAINT ARG=t AT=1.2 KAPPA=10
134 : \endplumedfile
135 :
136 :
137 :
138 :
139 :
140 : */
141 : //+ENDPLUMEDOC
142 :
143 13 : class Include :
144 : public Action
145 : {
146 : public:
147 : static void registerKeywords( Keywords& keys );
148 : explicit Include(const ActionOptions&ao);
149 0 : void calculate() {}
150 0 : void apply() {}
151 : };
152 :
153 6465 : PLUMED_REGISTER_ACTION(Include,"INCLUDE")
154 :
155 14 : void Include::registerKeywords( Keywords& keys ) {
156 14 : Action::registerKeywords(keys);
157 56 : keys.add("compulsory","FILE","file to be included");
158 14 : }
159 :
160 13 : Include::Include(const ActionOptions&ao):
161 13 : Action(ao)
162 : {
163 : std::string f;
164 26 : parse("FILE",f);
165 13 : checkRead();
166 39 : plumed.readInputFile(f);
167 13 : }
168 :
169 : }
170 4839 : }
171 :
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