Tpr but why #7
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Tpr but why #7
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initially false, as this is how the header is this might get set to true after reading the header
unpack_real goes between float or double
seems to work...
cheap way to advance stream
some things are impossible in Cython, so stuff them in a header to be included
previously segfaulted on modern tpr files
allows ignoring the mda-specific parts of tpr parsing to establish a baseline
skip reading box in topology parsing
also does velocities for free
it then manages how it advances through this stream on each read also adds is_2020 and precision options that can be toggled
since its managing its own read pointer now anyway
removes Cython extension class middle layer
have to put it in literal C block
hmacdope
requested changes
Aug 17, 2024
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| // fundamental get operations defined in impl | ||
| float get_float(); | ||
| double get_double(); | ||
| unsigned short get_uint16(); | ||
| int get_int32(); | ||
| unsigned int get_uint32(); | ||
| int64_t get_int64(); | ||
| uint64_t get_uint64(); |
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Make these virtual with override in subclass to make intent clear.
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| XDRThing(const XDRThing& me) { abort(); } | ||
| XDRThing& operator=(const XDRThing& me) { abort(); } |
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Make virtual and then use override in subclass to make this a compiler warning not a stop.
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Or you can just delete the methods if you want it to not be intitialisable as base class
XDRThing(const XDRThing& me) { } = delete;
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