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Gromacs
2026.0-dev-20251119-5f0a571d
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#include <gromacs/fileio/h5md/h5md_timedatablock.h>
Builder class to create new H5mdTimeDataBlock objects.
Creates new (empty) value, step and time data sets with the expected names. Also exposes some options for the creation of these data sets.
A unit can be set to the value data set using withUnit. Time data sets are always created with a unit attribute set to "ps". Step data sets never have a unit attribute.
Once all desired options are set, use H5mdTimeBlockBuilder::build() to finalize all data sets and return the resulting H5mdTimeDataBlock.
Public Member Functions | |
| H5mdTimeDataBlockBuilder (hid_t container, const std::string &name) | |
Return a builder to create a H5mdTimeDataBlock (called name, in container). More... | |
| H5mdTimeDataBlockBuilder & | withCompression (H5mdCompression compression) |
Set compression for value data set (default is uncompressed). | |
| H5mdTimeDataBlockBuilder & | withFrameDimension (ArrayRef< const hsize_t > dims) |
| Set dimension for a single frame in the value data set. | |
| H5mdTimeDataBlockBuilder & | withFrameDimension (std::initializer_list< hsize_t > dims) |
| Set dimension for a single frame in the value data set. More... | |
| H5mdTimeDataBlockBuilder & | withUnit (std::string_view unit) |
| Set a unit attribute to the value data set. | |
| H5mdTimeDataBlock< ValueType > | build () |
Create all data sets and return as a H5mdTimeDataBlock. | |
| GMX_DISALLOW_COPY_MOVE_AND_ASSIGN (H5mdTimeDataBlockBuilder) | |
| gmx::H5mdTimeDataBlockBuilder< ValueType >::H5mdTimeDataBlockBuilder | ( | hid_t | container, |
| const std::string & | name | ||
| ) |
Return a builder to create a H5mdTimeDataBlock (called name, in container).
| gmx::FileIOError | if there already exists an object at the given path. |
| H5mdTimeDataBlockBuilder< ValueType > & gmx::H5mdTimeDataBlockBuilder< ValueType >::withFrameDimension | ( | std::initializer_list< hsize_t > | dims | ) |
Set dimension for a single frame in the value data set.
1.8.5