Candidate_v1.6.1
ChemicalSpaceEvaluator
TremoloParser_IncreasedPrecision
Last change
on this file since 4fc0ea was 305e7e, checked in by Frederik Heber <heber@…>, 14 years ago |
FIX: Type is actually spelled type with TREMOLO.
- corrected in TremoloParser.
- TESTFIX: the following tests has to be changed accordingly:
|
-
Property mode
set to
100644
|
File size:
1.1 KB
|
Rev | Line | |
---|
[031e2c6] | 1 | /*
|
---|
| 2 | * TremoloAtomInfoContainer.hpp
|
---|
| 3 | *
|
---|
| 4 | * Created on: Dec 7, 2010
|
---|
| 5 | * Author: heber
|
---|
| 6 | */
|
---|
| 7 |
|
---|
| 8 | #ifndef TREMOLOATOMINFOCONTAINER_HPP_
|
---|
| 9 | #define TREMOLOATOMINFOCONTAINER_HPP_
|
---|
| 10 |
|
---|
[56f73b] | 11 | // include config.h
|
---|
| 12 | #ifdef HAVE_CONFIG_H
|
---|
| 13 | #include <config.h>
|
---|
| 14 | #endif
|
---|
| 15 |
|
---|
| 16 |
|
---|
[031e2c6] | 17 | #include <string>
|
---|
| 18 | #include <vector>
|
---|
| 19 |
|
---|
| 20 | #include "TremoloKey.hpp"
|
---|
| 21 |
|
---|
| 22 | /**
|
---|
| 23 | * Holds tremolo-specific information which is not store in the atom class.
|
---|
| 24 | */
|
---|
| 25 | class TremoloAtomInfoContainer {
|
---|
| 26 | public:
|
---|
| 27 | TremoloAtomInfoContainer();
|
---|
| 28 | void set(TremoloKey::atomDataKey key, std::string value);
|
---|
[4d4d33] | 29 | std::string get(TremoloKey::atomDataKey key) const;
|
---|
[031e2c6] | 30 | std::string F;
|
---|
| 31 | std::string stress;
|
---|
| 32 | std::string imprData;
|
---|
| 33 | std::string GroupMeasureTypeNo;
|
---|
[305e7e] | 34 | std::string type;
|
---|
[031e2c6] | 35 | std::string extType;
|
---|
| 36 | std::string name;
|
---|
| 37 | std::string resName;
|
---|
| 38 | std::string chainID;
|
---|
| 39 | std::string resSeq;
|
---|
| 40 | std::string occupancy;
|
---|
| 41 | std::string tempFactor;
|
---|
| 42 | std::string segID;
|
---|
| 43 | std::string Charge;
|
---|
| 44 | std::string charge;
|
---|
| 45 | std::string GrpTypeNo;
|
---|
| 46 | std::string torsion;
|
---|
| 47 | std::vector<int> neighbors;
|
---|
[0bbfa1] | 48 | bool neighbors_processed;
|
---|
[031e2c6] | 49 | };
|
---|
| 50 |
|
---|
[4d4d33] | 51 | std::ostream& operator<<(std::ostream& out, const TremoloAtomInfoContainer&);
|
---|
[031e2c6] | 52 |
|
---|
| 53 | #endif /* TREMOLOATOMINFOCONTAINER_HPP_ */
|
---|
Note:
See
TracBrowser
for help on using the repository browser.