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venkatBalavenkatBala
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Create DumpSnapshot class, update tests and CMakeLists (#95)
* add .clang-format * add .clang-format * restructure directory and move c++ files out * init DumpSnapshot type * dump snapshot template * update CMakeLists.txt to read VERSION; fix initialization ordering * add unit tests with Gtest * add unit tests with Gtest * update tests workflow to configure build and run tests with CMake/ctest * update changelog * specify path to tests
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14 files changed

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‎.clang-format

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@@ -0,0 +1,224 @@
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---
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Language: Cpp
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# BasedOnStyle: Google
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AccessModifierOffset: -1
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AlignAfterOpenBracket: Align
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AlignArrayOfStructures: None
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AlignConsecutiveMacros: None
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AlignConsecutiveAssignments: None
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AlignConsecutiveBitFields: None
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AlignConsecutiveDeclarations: None
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AlignEscapedNewlines: Left
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AlignOperands: Align
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AlignTrailingComments: true
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AllowAllArgumentsOnNextLine: true
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AllowAllParametersOfDeclarationOnNextLine: true
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AllowShortEnumsOnASingleLine: true
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AllowShortBlocksOnASingleLine: Never
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AllowShortCaseLabelsOnASingleLine: false
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AllowShortFunctionsOnASingleLine: All
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AllowShortLambdasOnASingleLine: All
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AllowShortIfStatementsOnASingleLine: WithoutElse
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AllowShortLoopsOnASingleLine: true
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AlwaysBreakAfterDefinitionReturnType: None
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AlwaysBreakAfterReturnType: None
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AlwaysBreakBeforeMultilineStrings: true
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AlwaysBreakTemplateDeclarations: Yes
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AttributeMacros:
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- __capability
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BinPackArguments: true
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BinPackParameters: true
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BraceWrapping:
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AfterCaseLabel: false
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AfterClass: false
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AfterControlStatement: Never
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AfterEnum: false
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AfterFunction: false
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AfterNamespace: false
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AfterObjCDeclaration: false
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AfterStruct: false
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AfterUnion: false
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AfterExternBlock: false
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BeforeCatch: false
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BeforeElse: false
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BeforeLambdaBody: false
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BeforeWhile: false
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IndentBraces: false
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SplitEmptyFunction: true
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SplitEmptyRecord: true
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SplitEmptyNamespace: true
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BreakBeforeBinaryOperators: None
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BreakBeforeConceptDeclarations: true
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BreakBeforeBraces: Attach
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BreakBeforeInheritanceComma: false
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BreakInheritanceList: BeforeColon
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BreakBeforeTernaryOperators: true
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BreakConstructorInitializersBeforeComma: false
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BreakConstructorInitializers: BeforeColon
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BreakAfterJavaFieldAnnotations: false
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BreakStringLiterals: true
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ColumnLimit: 80
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CommentPragmas: "^ IWYU pragma:"
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QualifierAlignment: Leave
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CompactNamespaces: false
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ConstructorInitializerIndentWidth: 4
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ContinuationIndentWidth: 4
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Cpp11BracedListStyle: true
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DeriveLineEnding: true
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DerivePointerAlignment: true
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DisableFormat: false
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EmptyLineAfterAccessModifier: Never
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EmptyLineBeforeAccessModifier: LogicalBlock
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ExperimentalAutoDetectBinPacking: false
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PackConstructorInitializers: NextLine
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BasedOnStyle: ""
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ConstructorInitializerAllOnOneLineOrOnePerLine: false
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AllowAllConstructorInitializersOnNextLine: true
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FixNamespaceComments: true
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ForEachMacros:
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- foreach
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- Q_FOREACH
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- BOOST_FOREACH
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IfMacros:
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- KJ_IF_MAYBE
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IncludeBlocks: Regroup
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IncludeCategories:
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- Regex: '^<ext/.*\.h>'
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Priority: 2
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SortPriority: 0
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CaseSensitive: false
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- Regex: '^<.*\.h>'
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Priority: 1
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SortPriority: 0
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CaseSensitive: false
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- Regex: "^<.*"
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Priority: 2
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SortPriority: 0
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CaseSensitive: false
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- Regex: ".*"
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Priority: 3
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SortPriority: 0
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CaseSensitive: false
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IncludeIsMainRegex: "([-_](test|unittest))?$"
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IncludeIsMainSourceRegex: ""
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IndentAccessModifiers: false
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IndentCaseLabels: true
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IndentCaseBlocks: false
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IndentGotoLabels: true
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IndentPPDirectives: None
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IndentExternBlock: AfterExternBlock
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IndentRequires: false
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IndentWidth: 2
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IndentWrappedFunctionNames: false
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InsertTrailingCommas: None
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JavaScriptQuotes: Leave
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JavaScriptWrapImports: true
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KeepEmptyLinesAtTheStartOfBlocks: false
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LambdaBodyIndentation: Signature
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MacroBlockBegin: ""
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MacroBlockEnd: ""
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MaxEmptyLinesToKeep: 1
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NamespaceIndentation: None
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ObjCBinPackProtocolList: Never
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ObjCBlockIndentWidth: 2
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ObjCBreakBeforeNestedBlockParam: true
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ObjCSpaceAfterProperty: false
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ObjCSpaceBeforeProtocolList: true
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PenaltyBreakAssignment: 2
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PenaltyBreakBeforeFirstCallParameter: 1
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PenaltyBreakComment: 300
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PenaltyBreakFirstLessLess: 120
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PenaltyBreakOpenParenthesis: 0
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PenaltyBreakString: 1000
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PenaltyBreakTemplateDeclaration: 10
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PenaltyExcessCharacter: 1000000
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PenaltyReturnTypeOnItsOwnLine: 200
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PenaltyIndentedWhitespace: 0
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PointerAlignment: Left
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PPIndentWidth: -1
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RawStringFormats:
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- Language: Cpp
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Delimiters:
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- cc
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- CC
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- cpp
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- Cpp
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- CPP
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- "c++"
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- "C++"
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CanonicalDelimiter: ""
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BasedOnStyle: google
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- Language: TextProto
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Delimiters:
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- pb
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- PB
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- proto
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- PROTO
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EnclosingFunctions:
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- EqualsProto
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- EquivToProto
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- PARSE_PARTIAL_TEXT_PROTO
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- PARSE_TEST_PROTO
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- PARSE_TEXT_PROTO
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- ParseTextOrDie
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- ParseTextProtoOrDie
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- ParseTestProto
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- ParsePartialTestProto
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CanonicalDelimiter: pb
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BasedOnStyle: google
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ReferenceAlignment: Pointer
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ReflowComments: true
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RemoveBracesLLVM: false
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SeparateDefinitionBlocks: Leave
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ShortNamespaceLines: 1
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SortIncludes: CaseSensitive
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SortJavaStaticImport: Before
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SortUsingDeclarations: true
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SpaceAfterCStyleCast: false
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SpaceAfterLogicalNot: false
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SpaceAfterTemplateKeyword: true
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SpaceBeforeAssignmentOperators: true
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SpaceBeforeCaseColon: false
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SpaceBeforeCpp11BracedList: false
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SpaceBeforeCtorInitializerColon: true
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SpaceBeforeInheritanceColon: true
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SpaceBeforeParens: ControlStatements
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SpaceBeforeParensOptions:
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AfterControlStatements: true
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AfterForeachMacros: true
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AfterFunctionDefinitionName: false
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AfterFunctionDeclarationName: false
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AfterIfMacros: true
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AfterOverloadedOperator: false
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BeforeNonEmptyParentheses: false
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SpaceAroundPointerQualifiers: Default
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SpaceBeforeRangeBasedForLoopColon: true
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SpaceInEmptyBlock: false
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SpaceInEmptyParentheses: false
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SpacesBeforeTrailingComments: 2
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SpacesInAngles: Never
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SpacesInConditionalStatement: false
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SpacesInContainerLiterals: true
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SpacesInCStyleCastParentheses: false
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SpacesInLineCommentPrefix:
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Minimum: 1
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Maximum: -1
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SpacesInParentheses: false
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SpacesInSquareBrackets: false
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SpaceBeforeSquareBrackets: false
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BitFieldColonSpacing: Both
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Standard: Auto
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StatementAttributeLikeMacros:
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- Q_EMIT
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StatementMacros:
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- Q_UNUSED
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- QT_REQUIRE_VERSION
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TabWidth: 8
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UseCRLF: false
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UseTab: Never
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WhitespaceSensitiveMacros:
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- STRINGIZE
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- PP_STRINGIZE
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- BOOST_PP_STRINGIZE
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- NS_SWIFT_NAME
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- CF_SWIFT_NAME

‎.github/workflows/tests.yml

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jobs:
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tests:
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runs-on: ${{ matrix.os }}
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strategy:
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fail-fast: false
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matrix:
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os: ["ubuntu-20.04"]
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container:
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- python:3.8-buster
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- python:3.8-bullseye
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- python:3.9-buster
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- python:3.9-bullseye
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container: ${{ matrix.container }}
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runs-on: "ubuntu-latest"
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continue-on-error: false
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outputs:
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release: ${{ steps.push.outputs.release }}
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persist-credentials: false
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token: ${{ secrets.ADMIN_TOKEN }}
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- name: Install package dependencies
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run: |
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pip install --no-cache-dir -r ./requirements.txt
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pip install --no-cache-dir -r ./tests/requirements.txt
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- name: Build package distribution
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run: python setup.py sdist
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- name: Install GCC toolchain
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uses: egor-tensin/setup-gcc@v1
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with:
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version: 11
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platform: x64
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- name: Validate distribution
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- name: Install Google Tests
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run: |
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VERSION="$(cat ./VERSION)"
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cd dist
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tar xzf lmptools-${VERSION}.tar.gz
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diff -r lmptools-${VERSION}/lmptools/core ../lmptools/core
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diff -r lmptools-${VERSION}/lmptools/dump ../lmptools/dump
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diff -r lmptools-${VERSION}/lmptools/writers ../lmptools/writers
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rm -rf lmptools-${VERSION}/
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- name: Install lmptools
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run: pip install -e .
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sudo apt-get update
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sudo apt-get install -y libgtest-dev
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- name: Run tests and measure coverage
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- name: Configure CMake
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run: |
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PYTHONPATH=${PWD}/ pytest -vv --cov-report xml:coverage.xml --cov-report term-missing --cov '.' tests
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- name: Upload report to Codecov
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if: github.ref == 'refs/head/develop' && matrix.container == 'python:3.9-buster'
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uses: codecov/codecov-action@v2
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with:
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files: ./coverage.xml
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cmake -B ${{ github.workspace }}/build -DCMAKE_BUILD_TYPE=Debug
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- name: Get latest release tag
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id: get-latest-tag
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if: github.ref == 'refs/head/develop' && matrix.os == 'ubuntu-20.04' && matrix.container == 'python:3.9-buster'
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- name: Build
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run: |
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tag=$(git describe --abbrev=0)
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echo "::set-output name=tag::$tag"
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cmake --build ${{ github.workspace }}/build --config Debug
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- name: Check if a release can be made or not
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id: push
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if: github.ref == 'refs/heads/develop' && matrix.os == 'ubuntu-20.04' && matrix.container == 'python:3.9-buster'
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- name: Run tests and measure coverage
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run: |
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MASTER_VERSION="$(echo '${{ steps.get-latest-tag.outputs.tag }}' | cut -c2- )"
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VERSION=$(cat ./VERSION)"
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echo "MASTER_VERSION = ${MASTER_VERSION}"
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echo "VERSION = ${VERSION}"
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release=false
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if [ "$MASTER_VERSION" = "$VERSION" ]; then
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echo "$VERSION has been previously released"
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else
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release=true
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fi
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echo "RELEASE=$release" >> $GITHUB_ENV
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echo "::set-output name=release::$release"
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ctest --test-dir ${{ github.workspace }}/build -v --output-on-failure
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release:
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needs: tests

‎CHANGELOG.md

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22

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## [Unreleased]
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### Added
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- Adding `DumpSnapshot` class skeleton
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### Changed
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- Update `tests.yml` to configure & build using CMake
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- Use GoogleTest to run C++ tests
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- Update CMakeLists.txt to build shared library with version information parsed from file
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## [0.17.7] - 2022-11-11
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### Added
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- `C++` base type for `Atom` and `SimulationBox`

‎CMakeLists.txt

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cmake_minimum_required(VERSION 3.17)
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project(lmptools)
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set(CMAKE_CXX_STANDARD 20)
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file(READ "VERSION" LMPTOOLS_VERSION)
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string(STRIP "${LMPTOOLS_VERSION}" LMPTOOLS_VERSION)
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message("Version will be ${LMPTOOLS_VERSION}")
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find_package(Python COMPONENTS Development Interpreter)
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set(CMAKE_CXX_COMPILER g++)
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set(CMAKE_CXX_STANDARD 20)
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add_compile_options(-Werror -pedantic -Wall)
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include_directories(cpp/include)
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file(GLOB SRCS cpp/src/*.cpp)
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include_directories(lmptools/_lib/include)
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include_directories(${Python_INCLUDE_DIRS})
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FILE(GLOB SRCS lmptools/_lib/src/*.cpp)
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#set(CMAKE_CXX_CLANG_TIDY clang-tidy; -header-filter=.;
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# -checks=*,-llvmlibc-restrict-system-libc-headers,-fuchsia-overloaded-operator;
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# --warnings-as-errors=*;)
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add_library(lmptools SHARED ${SRCS})
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set_target_properties(lmptools PROPERTIES VERSION ${LMPTOOLS_VERSION})
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set_target_properties(lmptools PROPERTIES SOVERSION 1)
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# Enable testing
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enable_testing()
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find_package(GTest REQUIRED)
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include_directories(${GTEST_INCLUDE_DIRS})
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# Glob all tests
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file(GLOB ALLTESTS tests/cpp/*.cpp)
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set_target_properties(
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lmptools
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PROPERTIES
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PREFIX ""
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OUTPUT_NAME "lmptools"
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LINKER_LANGUAGE CXX)
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add_executable(lmptoolstests ${ALLTESTS})
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target_link_libraries(lmptoolstests GTest::gtest GTest::gtest_main)
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add_test(LMPTOOLSTestSuite lmptoolstests)

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