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| Original file line number | Diff line number | Diff line change |
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| @@ -0,0 +1,25 @@ | ||
| #pragma once | ||
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| #include <glad/glad.h> | ||
| #include <glm/glm.hpp> | ||
| #include <vector> | ||
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| struct Vertex { | ||
| glm::vec3 position, normal = glm::vec3(0), color = glm::vec3(1); | ||
| }; | ||
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| class Buffer { | ||
| public: | ||
| Buffer(const Buffer& buffer) : data(buffer.getData()) {generate();}; | ||
| Buffer(const std::vector<Vertex>& data) : data(data) {generate();}; | ||
| Buffer() : data(0) {generate();}; ~Buffer(); | ||
| Buffer& operator=(const Buffer& buffer); | ||
| void bind() const; | ||
| void generate(); | ||
| std::vector<Vertex> getData() const { return data; } | ||
| size_t getSize() const { return data.size(); }; | ||
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| private: | ||
| std::vector<Vertex> data; | ||
| unsigned int vao, vbo; | ||
| }; |
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -1,8 +1,55 @@ | ||
| #pragma once | ||
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| #define PERIODIC_TABLE "H He Li Be B C N O F Ne Na Mg Al Si P S Cl Ar K Ca Sc Ti V Cr Mn Fe Co Ni Cu Zn Ga Ge As Se Br Kr Rb Sr Y Zr Nb Mo Tc Ru Rh Pd Ag Cd In Sn Sb Te I Xe Cs Ba La Ce Pr Nd Pm Sm Eu Gd Tb Dy Ho Er Tm Yb Lu Hf Ta W Re Os Ir Pt Au Hg Tl Pb Bi Po At Rn Fr Ra Ac Th Pa U Np Pu Am Cm Bk Cf Es Fm Md No Lr Rf Db Sg Bh Hs Mt Ds Rg Cn Nh Fl Mc Lv Ts Og" | ||
| #include <glm/glm.hpp> | ||
| #include <string> | ||
| #include <unordered_map> | ||
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| #define OCCUPIED_ORBITALS "abcdefghijklmnopqrstuvwxyz" | ||
| #define VIRTUAL_ORBITALS "ABCDEFGHIJKLMNOPQRSTUVWXYZ" | ||
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| #define ANGSTROM_TO_BOHR 1.889726124626 | ||
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| struct Atom { | ||
| float radius, covalent; glm::vec3 color; double mass; | ||
| }; | ||
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| inline std::unordered_map<std::string, Atom> ptable = { | ||
| { "H", {.radius = 053.0f, .covalent = 032.0f, .color = {255.0f / 255.0f, 255.0f / 255.0f, 255.0f / 255.0f}, .mass = 001.0078 }}, | ||
| {"He", {.radius = 031.0f, .covalent = 046.0f, .color = {217.0f / 255.0f, 255.0f / 255.0f, 255.0f / 255.0f}, .mass = 004.0026 }}, | ||
| {"Li", {.radius = 167.0f, .covalent = 133.0f, .color = {204.0f / 255.0f, 128.0f / 255.0f, 255.0f / 255.0f}, .mass = 006.9410 }}, | ||
| {"Be", {.radius = 112.0f, .covalent = 102.0f, .color = {194.0f / 255.0f, 255.0f / 255.0f, 000.0f / 255.0f}, .mass = 009.0122 }}, | ||
| { "C", {.radius = 067.0f, .covalent = 075.0f, .color = {144.0f / 255.0f, 144.0f / 255.0f, 144.0f / 255.0f}, .mass = 012.0110 }}, | ||
| { "N", {.radius = 056.0f, .covalent = 071.0f, .color = {048.0f / 255.0f, 080.0f / 255.0f, 248.0f / 255.0f}, .mass = 014.0067 }}, | ||
| { "O", {.radius = 048.0f, .covalent = 063.0f, .color = {255.0f / 255.0f, 013.0f / 255.0f, 013.0f / 255.0f}, .mass = 015.9994 }}, | ||
| { "F", {.radius = 042.0f, .covalent = 064.0f, .color = {144.0f / 255.0f, 224.0f / 255.0f, 080.0f / 255.0f}, .mass = 018.9984 }}, | ||
| {"Ne", {.radius = 038.0f, .covalent = 067.0f, .color = {179.0f / 255.0f, 227.0f / 255.0f, 245.0f / 255.0f}, .mass = 020.1797 }}, | ||
| { "P", {.radius = 098.0f, .covalent = 111.0f, .color = {255.0f / 255.0f, 128.0f / 255.0f, 000.0f / 255.0f}, .mass = 030.9738 }}, | ||
| { "S", {.radius = 088.0f, .covalent = 103.0f, .color = {255.0f / 255.0f, 255.0f / 255.0f, 048.0f / 255.0f}, .mass = 032.0650 }}, | ||
| {"Cl", {.radius = 079.0f, .covalent = 099.0f, .color = {031.0f / 255.0f, 240.0f / 255.0f, 031.0f / 255.0f}, .mass = 035.4530 }}, | ||
| {"Xe", {.radius = 108.0f, .covalent = 131.0f, .color = {066.0f / 255.0f, 158.0f / 255.0f, 176.0f / 255.0f}, .mass = 131.2930 }}, | ||
| {"El", {.radius = 020.0f, .covalent = 020.0f, .color = {066.0f / 255.0f, 158.0f / 255.0f, 176.0f / 255.0f}, .mass = 000.0000 }} | ||
| }; | ||
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| inline std::unordered_map<int, std::string> an2sm = { | ||
| { 1, "H" }, | ||
| { 2, "He"}, | ||
| { 6, "C" }, | ||
| { 7, "N" }, | ||
| { 8, "O" }, | ||
| { 9, "F" }, | ||
| {15, "P" }, | ||
| {16, "S" }, | ||
| {17, "Cl" } | ||
| }; | ||
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| inline std::unordered_map<std::string, int> sm2an = { | ||
| { "H", 1}, | ||
| {"He", 2}, | ||
| { "C", 6}, | ||
| { "N", 7}, | ||
| { "O", 8}, | ||
| { "F", 9}, | ||
| { "P", 15}, | ||
| { "S", 16}, | ||
| {"Cl", 17} | ||
| }; |
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,32 @@ | ||
| #pragma once | ||
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| #include "glfwpointer.h" | ||
| #include "constant.h" | ||
| #include "mesh.h" | ||
| #include <GLFW/glfw3.h> | ||
| #include <glm/gtc/matrix_transform.hpp> | ||
| #include <sstream> | ||
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| class Geometry { | ||
| struct Object { | ||
| glm::mat4 get_model(glm::mat4 s = glm::mat4(1)) const { | ||
| return translate * rotate * s * scale; | ||
| } | ||
| glm::vec3 get_position() const { | ||
| return glm::vec3(translate[3]); | ||
| } | ||
| glm::mat4 translate, rotate, scale; std::string name; | ||
| }; | ||
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| public: | ||
| static Geometry Load(std::stringstream& file); | ||
| glm::vec3 get_center() const; | ||
| void move(const glm::vec3& vector); | ||
| void render(const Shader& shader) const; | ||
| void rebind(float factor); | ||
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| inline static std::unordered_map<std::string, Mesh> meshes; | ||
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| private: | ||
| std::vector<Object> objects; | ||
| }; |
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,20 @@ | ||
| #pragma once | ||
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| #include "buffer.h" | ||
| #include "shader.h" | ||
| #include <algorithm> | ||
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| class Mesh { | ||
| public: | ||
| Mesh() {}; Mesh(std::vector<Vertex> data, const std::string& name = "mesh") : name(name), model(1.0f), buffer(data) {}; | ||
| static Mesh Cylinder(int sectors, bool smooth, const std::string& name = "cylinder"); | ||
| static Mesh Icosphere(int subdivisions, bool smooth, const std::string& name = "icosphere"); | ||
| std::string getName() const; | ||
| glm::vec3 getPosition() const; | ||
| void render(const Shader& shader, const glm::mat4& transform = glm::mat4(1.0f)) const; | ||
| void setColor(const glm::vec3& color); | ||
| void setModel(const glm::mat4& model); | ||
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| private: | ||
| std::string name; glm::mat4 model; Buffer buffer; | ||
| }; |
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,17 @@ | ||
| #pragma once | ||
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| #include <glad/glad.h> | ||
| #include <glm/glm.hpp> | ||
| #include <stdexcept> | ||
| #include <vector> | ||
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| class Shader { | ||
| public: | ||
| ~Shader(); Shader(const std::string& vertex, const std::string& fragment); | ||
| void check_error(unsigned int shader, const std::string& title) const; | ||
| template <typename T> void set(const std::string& name, T value) const; | ||
| void use() const; | ||
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| private: | ||
| unsigned int id; | ||
| }; |
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,16 @@ | ||
| #pragma once | ||
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| #include "geometry.h" | ||
| #include <chrono> | ||
| #include <fstream> | ||
| #include <sstream> | ||
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| class Trajectory { | ||
| public: | ||
| static Trajectory Load(const std::string& movie); | ||
| void move(const glm::vec3& vector); | ||
| void render(const Shader& shader); | ||
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| private: | ||
| std::chrono::high_resolution_clock::time_point timestamp; std::vector<Geometry> geoms; bool paused = false; float wait = 15.997; int frame = 0; | ||
| }; |
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,29 @@ | ||
| #include "buffer.h" | ||
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| Buffer::~Buffer() { | ||
| glDeleteVertexArrays(1, &vao), glDeleteBuffers(1, &vbo); | ||
| }; | ||
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| Buffer& Buffer::operator=(const Buffer& buffer) { | ||
| glDeleteVertexArrays(1, &vao), glDeleteBuffers(1, &vbo); this->data = buffer.data, generate(); return *this; | ||
| } | ||
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| void Buffer::bind() const { | ||
| glBindVertexArray(vao); | ||
| } | ||
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| void Buffer::generate() { | ||
| // generate and bind the buffers | ||
| glGenVertexArrays(1, &vao), glGenBuffers(1, &vbo), glBindBuffer(GL_ARRAY_BUFFER, vbo), glBindVertexArray(vao); | ||
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| // set position, normal and collor attributes | ||
| glVertexAttribPointer(0, 3, GL_FLOAT, GL_FALSE, sizeof(Vertex), (void*)offsetof(Vertex, position)); | ||
| glVertexAttribPointer(1, 3, GL_FLOAT, GL_FALSE, sizeof(Vertex), (void*)offsetof(Vertex, normal)); | ||
| glVertexAttribPointer(2, 3, GL_FLOAT, GL_FALSE, sizeof(Vertex), (void*)offsetof(Vertex, color)); | ||
|
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| // enable attributes | ||
| glEnableVertexAttribArray(0), glEnableVertexAttribArray(1), glEnableVertexAttribArray(2); | ||
|
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| // set the data | ||
| glBufferData(GL_ARRAY_BUFFER, data.size() * sizeof(Vertex), data.data(), GL_STATIC_DRAW); | ||
| } |
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