Commit 84c5b91d authored by Mohamed, Fawzi Roberto (fawzi)'s avatar Mohamed, Fawzi Roberto (fawzi)
Browse files

first pieces of new meta info

parent ce7cbe71
{
"type": "nomad_meta_info 2.0",
"metadict_description": ["dictionary describing the meta info itself"],
"metadict_version": "2.0.0",
"metadict_require": [],
"meta_info_entry": [
{
"meta_name": "meta_dictionary",
"meta_type": "type-section",
"meta_description": [
"A dictionary collection some meta_info_entry entries, their dependencies.\n",
"The dictionary is versioned using semantic versioning."
]
},
{
"meta_name": "metadict_description",
"meta_type": "type-value",
"meta_data_type": "string",
"meta_parent_section": "meta_dictionary",
"meta_description": [
"A string describing the group of Meta Info contained in the dictionary."
]
},
{
"meta_name": "metadict_version",
"meta_type": "type-value",
"meta_data_type": "string",
"meta_parent_section": "meta_dictionary",
"meta_description": [
"A string containing the version of the dictionary using [Semantic Versioning 2.0.0](http://semver.org/spec/v2.0.0.html)"
]
},
{
"meta_name": "metadict_require",
"meta_type": "type-value",
"meta_data_type": "string",
"meta_parent_section": "meta_dictionary",
"meta_description": [
"A list of other dictionaries that should be loaded to undestand this dictionary."
]
},
{
"meta_name": "meta_info_entry",
"meta_type": "type-section",
"meta_parent_section": "meta_dictionary",
"meta_chosen_key": "meta_name",
"meta_description": [
"A dictionary collection some meta_info_entry entries, their dependencies.\n",
"The dictionary is versioned using sematic versioning."
]
},
{
"meta_name": "meta_name",
"meta_type": "type-value",
"meta_data_type": "string",
"meta_parent_section": "meta_info_entry",
"meta_description": [
"This is one of the most important properties of a Meta Info as it is used to identify it.\n",
"Only lowercase roman letters, numbers and underscore are allowed.\n",
"The prefixes t\\_, u\\_, \\_, x\\_ are reserved for temporary, user defined, non standard, and code specific Meta Info respectively.\n",
"Explicit names are preferred to abbreviations, and the name should always contain at least an `\\_'.\n",
"The name can uniquely identify the meta_info_entry in a meta_dictionary or in its context section."
]
},
{
"meta_name": "meta_description",
"meta_type": "type-value",
"meta_data_type": "string",
"meta_parent_section": "meta_info_entry",
"meta_description": [
"Contains a text meant for the users of the meta info, using [mark down format](https://daringfireball.net/markdown) with the following extensions:\n ",
" * \\$ is used to introduce mathematical notation using the latex format,\n",
" * names containing an ``\\_'' are assumed to refer to other meta info."
]
},
{
"meta_name": "meta_type",
"meta_type": "type-value",
"meta_data_type": "string",
"meta_parent_section": "meta_info_entry",
"meta_enum": [ {
"meta_enum_value": "type-value",
"meta_enum_description": [
"A concrete data value. For example the meta info program_name has this meta_type. Conceptually meta info of this type corresponds to a column in a relational database.\n",
"This is the default type if not specified."]
}, {
"meta_enum_value": "type-section",
"meta_enum_description": [
"A section, this is a bit like a class in object oriented programming, or table in a relational database.\n",
"There might be many objects (rows) corresponding to this.\n",
"Sections structure the data by grouping together the values contained in them, and their subsections."]
}, {
"meta_enum_value": "type-dimension",
"meta_enum_description": [
"Represents a ``symbolic'' dimension, its name should begin with number\\_of\\_.\n",
"The dimension does not need to be explicitly stored anywhere, but can be extracted form the shape of a value that uses it."]
}, {
"meta_enum_value": "type-abstract",
"meta_enum_description": [
"An abstract type is used only to classify meta_info_entry.\n",
"Abstract types have no influence on how the data is stored, that is defined exclusively by sections and values, but have two important functions: ",
"Help describing values or sections (augmenting the textual description), and enable simpler or automatic handling of conceptually related quantities.\n",
"For instance all energies can have the abstract type energy_type, and all parameters that influence the computation of the xc functional have the abstract type settings_xc. ",
"This way one can treat all energies in the same way, or compute a checksum or compare all settings that influence the xc calculation, even code specific ones that are not part of the public Meta Info, as long as they correctly set their abstract types."]
} ],
"meta_description": [
"Defines the type of meta_info_entry"
]
},
{
"meta_name": "meta_chosen_key",
"meta_type": "type-value",
"meta_data_type": "string",
"meta_parent_section": "meta_info_entry",
"meta_description": [
"The meta_name of a *type-value* (that should be with meta_data_type = *string*) that can be used as main unique key for the sections contained in a meta_parent_section."
]
},
{
"meta_name": "meta_data_type",
"meta_type": "type-value",
"meta_data_type": "string",
"meta_parent_section": "meta_info_entry",
"meta_enum": [ {
"meta_enum_value": "int",
"meta_enum_description": [
"A 32 bit signed integer (equivalent to int32)"]
}, {
"meta_enum_value": "int32",
"meta_enum_description": [
"A 32 bit signed integer"]
}, {
"meta_enum_value": "int64",
"meta_enum_description": [
"A 64 bit signed integer"]
}, {
"meta_enum_value": "reference",
"meta_enum_description": [
"An internal reference. This contains the index of the referenced meta_referenced_sections. For references to other documents a string with a nomad uri should be used."]
}, {
"meta_enum_value": "float32",
"meta_enum_description": [
"A single precision (32 bit) floating point value"]
}, {
"meta_enum_value": "float",
"meta_enum_description": [
"A double precision (64 bit) floating point value (equivalent to float64)"]
}, {
"meta_enum_value": "float64",
"meta_enum_description": [
"A double precision (64 bit) floating point value"]
}, {
"meta_enum_value": "boolean",
"meta_enum_description": [
"A boolean value (true or false)"]
}, {
"meta_enum_value": "string",
"meta_enum_description": [
"A string of unicode characters"]
} ],
"meta_description": [
"The basic type of the data corresponding to this meta_info_entry.\n",
"Formally also *binary* and *json* could be used, but they were avoided until now because opaque, and more difficult to document."
]
},
{
"meta_name": "meta_dimension",
"meta_type": "type-section",
"meta_parent_section": "meta_info_entry",
"meta_description": [
"The shape of the multidimensional array used to store the data corrsponding to this meta info, either meta_dimension_fixed or meta_dimension_symbolic.\n",
"Example: [{ ``meta_dimension_symbolic'': ``number_of_atoms''}, {``meta_dimension_fixed'': 3 }].\n",
"If no meta_dimension are given the data is a scalar."
]
},
{
"meta_name": "meta_dimension_fixed",
"meta_type": "type-value",
"meta_data_type": "int64",
"meta_parent_section": "meta_dimension",
"meta_description": [
"A fixed dimension of exactly the given size."
]
},
{
"meta_name": "meta_dimension_symbolic",
"meta_type": "type-value",
"meta_data_type": "string",
"meta_parent_section": "meta_dimension",
"meta_description": [
"A symbolic (variable) dimension, contains the name of a meta_info_entry with meta_type *type-dimension* that represents this dimension."
]
},
{
"meta_name": "meta_parent_section",
"meta_type": "type-value",
"meta_data_type": "string",
"meta_parent_section": "meta_info_entry",
"meta_description": [
"The name of the meta_info_entry with meta_type *type-section*. It is required, for *type-value* and optional for type-section. It is what structures the data."
]
},
{
"meta_name": "meta_abstract_types",
"meta_type": "type-value",
"meta_data_type": "string",
"meta_repeats": true,
"meta_parent_section": "meta_info_entry",
"meta_description": [
"A list of all Meta Info of type *type-abstract* of this value"
]
},
{
"meta_name": "meta_enum",
"meta_type": "type-section",
"meta_parent_section": "meta_info_entry",
"meta_description": [
"Describes each of the possible values of an enumeration meta_info_entry"
]
},
{
"meta_name": "meta_enum_value",
"meta_type": "type-value",
"meta_data_type": "string",
"meta_parent_section": "meta_enum",
"meta_description": [
"One of the possible values of an enumeration."
]
},
{
"meta_name": "meta_enum_description",
"meta_type": "type-value",
"meta_data_type": "string",
"meta_repeats": true,
"meta_parent_section": "meta_enum",
"meta_description": [
"The description of the meaning of the meta_enum_value."
]
},
{
"meta_name": "meta_enum_from",
"meta_type": "type-value",
"meta_data_type": "string",
"meta_repeats": true,
"meta_parent_section": "meta_info_entry",
"meta_description": [
"The meta_name of a meta_info_entry from which to take the meta_enum to easily share enumeration values across several meta_info_entry"
]
},
{
"meta_name": "meta_query_enum",
"meta_type": "type-section",
"meta_parent_section": "meta_info_entry",
"meta_chosen_key": "meta_query_value",
"meta_description": [
"Describes possible values that can be used to query this field, but are not really stored in it."
]
},
{
"meta_name": "meta_query_values",
"meta_type": "type-value",
"meta_data_type": "string",
"meta_repeats": true,
"meta_parent_section": "meta_query_enum",
"meta_description": [
"The equivalent values that can be sugested for autocompletion"
]
},
{
"meta_name": "meta_query_regex",
"meta_type": "type-value",
"meta_data_type": "string",
"meta_parent_section": "meta_query_enum",
"meta_description": [
"a regular expression to use instead of the meta_query_values to identify this entry"
]
},
{
"meta_name": "meta_query_expansion",
"meta_type": "type-value",
"meta_data_type": "string",
"meta_parent_section": "meta_query_enum",
"meta_description": [
"The query this entry is equivalent to."
]
},
{
"meta_name": "meta_range_expected",
"meta_type": "type-section",
"meta_parent_section": "meta_info_entry",
"meta_description": [
"Gives the expected range for the values corresponding to this meta_info_entry"
]
},
{
"meta_name": "meta_range_kind",
"meta_type": "type-value",
"meta_data_type": "string",
"meta_parent_section": "meta_range_expected",
"meta_enum": [ {
"meta_enum_value": "value",
"meta_enum_description": [
"The range is for the scalar value (or every component for arrays)"
]},{
"meta_enum_value": "abs-value",
"meta_enum_description": [
"The range is for the absolute value of the scalar value (or every component for arrays)"
]},{
"meta_enum_value": "norm2",
"meta_enum_description": [
"The range is for the euclidean norm of the value"
]}],
"meta_description": [
"Defines the quantity the range is about."
]
},
{
"meta_name": "meta_range_minimum",
"meta_type": "type-value",
"meta_data_type": "float",
"meta_parent_section": "meta_range_expected",
"meta_description": [
"The minimum expected value"
]
}, {
"meta_name": "meta_range_maximum",
"meta_type": "type-value",
"meta_data_type": "float",
"meta_repeats": true,
"meta_parent_section": "meta_range_expected",
"meta_description": [
"The maximum expected value"
]
},
{
"meta_name": "meta_range_units",
"meta_type": "type-value",
"meta_data_type": "string",
"meta_parent_section": "meta_range_expected",
"meta_description": [
"The units used for the range"
]
},
{
"meta_name": "meta_repeats",
"meta_type": "type-value",
"meta_data_type": "boolean",
"meta_parent_section": "meta_info_entry",
"meta_description": [
"If the value (section) can be repeated several times within a meta_parent_section.\n",
"The default is true for *type-section* and false for *type-value*."
]
},
{
"meta_name": "meta_required",
"meta_type": "type-value",
"meta_data_type": "boolean",
"meta_parent_section": "meta_info_entry",
"meta_description": [
"If each meta_parent_section requires at least a value of this type.\n",
"Defaults to false."
]
},
{
"meta_name": "meta_referenced_sections",
"meta_type": "type-value",
"meta_data_type": "string",
"meta_repeats": true,
"meta_parent_section": "meta_info_entry",
"meta_description": [
"If the datatype is a reference this attribute must be a list of the names of the sections that are referenced, referred to the rightmost dimension."
]
},
{
"meta_name": "meta_units",
"meta_type": "type-value",
"meta_data_type": "string",
"meta_parent_section": "meta_info_entry",
"meta_description": [
"String giving the units used by default for the data of this Meta Info. They should be SI units, or combination of them using ``*'' and ``^$exponent$''."
]
},
{
"meta_name": "meta_context_identifier",
"meta_type": "type-value",
"meta_data_type": "string",
"meta_repeats": true,
"meta_parent_section": "meta_info_entry",
"meta_description": [
"The value should be the meta_name of value (meta_type = *type-value*) contained in this meta_info_entry. I.e. its meta_parent_section should be equal to the meta_name of the current meta_info_entry (which should be of *type-section*).",
"That value should uniquely and globally identifies every section value, even if one does not know the type of the current section. In NOMAD we always used the a gid for this purpose."
]
}, {
"meta_name": "meta_contains",
"meta_type": "type-value",
"meta_data_type": "string",
"meta_repeats": true,
"meta_parent_section": "meta_info_entry",
"meta_description": [
"If meta_type = type-section and meta_context_identifier is defined (the section is a context) then this can be used to list top level sections contained in this context. This allows the reuse of the same top level sections in several contexts."
]
}, {
"meta_name": "metadict_dependency_gid",
"meta_type": "type-value",
"meta_data_type": "string",
"meta_parent_section": "metadict_require",
"meta_description": [
"A Gid uniquely identifying the dependency (and recursively all its dependencies)"
]
}, {
"meta_name": "metadict_gid",
"meta_type": "type-value",
"meta_data_type": "string",
"meta_parent_section": "meta_dictionary",
"meta_description": [
"A Gid uniquely identifying the dictionary and recursively all its dependencies"
]
}
]
}
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