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37 * Enum class defining the different requirements that outputadapters
38 * have for the output file type. OutputManager objects can only be built
39 * with OutputAdapters whose requirements can be implemented with the available input.
41 * \author Paul Bauer <paul.bauer.q@gmail.com>
43 * \ingroup module_coordinateio
45 #ifndef GMX_COORDINATEIO_ENUMS_H
46 #define GMX_COORDINATEIO_ENUMS_H
52 * The enums here define the flags specifying the requirements
53 * of different outputadapter modules.
55 * When building the object for deciding on the output to a new coordinate file,
56 * the CoordinateFile object needs to be able to validate that the dependencies of
57 * attached IOutputAdapters are fulfilled. Classes and interfaces that use
58 * the enum can check their dependencies against the information encoded in the
59 * flags and can then perform an appropriate reaction if there is a mismatch.
60 * \todo Use std::bitset<16> for the entries.
63 * \ingroup module_coordinateio
66 enum class CoordinateFileFlags
: unsigned long
69 * Base setting that says that the module has no requirements.
71 * Sets the flags to default setting to make sure all output methods
76 * Requires output method to support force output.
78 * If set, only output methods supporting writing of forces will work,
79 * others will generate an invalid input error.
81 RequireForceOutput
= 1 << 1,
83 * Requires output method to support velocity output.
85 * If set, only writing to files that support velocity output will succeed.
86 * Other writing methods will generate an error.
88 RequireVelocityOutput
= 1 << 2,
90 * Requires support for connection information in output format.
92 * If set, only file output that supports writing of connection information will succeed.
93 * This means for now that only PDB and TNG files can be written. Other file writing
96 RequireAtomConnections
= 1 << 3,
98 * Requires that output format supports the writing of atom information to the file.
100 * If set, files will only be written if they can output the information from t_atoms
101 * and otherwise create an error while writing.
103 RequireAtomInformation
= 1 << 4,
105 * Requires that output format supports writing user-specified output precision.
107 * If set, output will only be written if the format supports the writing
108 * of custom precision of the included data.
110 RequireChangedOutputPrecision
= 1 << 5,
112 * Requires that output format supports writing time to the file.
114 RequireNewFrameStartTime
= 1 << 6,
116 * Requires that output format supports writing time to the file.
118 RequireNewFrameTimeStep
= 1 << 7,
120 * Requires that output format supports writing box information.
122 RequireNewBox
= 1 << 8,
124 * Requires output to support changes to selection of coordinates.
126 * Default for most methods, will need to be able to write coordinates to
127 * output file or generate an error.
129 RequireCoordinateSelection
= 1 << 9,
130 //! Needed for enumeration array.
134 //! Conversion of flag to its corresponding unsigned long value.
135 inline unsigned long convertFlag(CoordinateFileFlags flag
)
137 return static_cast<unsigned long>(flag
);
140 //! Enum class for setting basic flags in a t_trxframe
141 enum class ChangeSettingType
: int
149 //! Enum class for t_atoms settings
150 enum class ChangeAtomsType
159 //! Enum class for setting fields new or not.
160 enum class ChangeFrameInfoType
167 //! Enum class for setting frame time from user input.
168 enum class ChangeFrameTimeType